data_baran79 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C35 H35 N O4' _chemical_formula_weight 533.64 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x+1/2, -y, z+1/2' _cell_length_a 8.0514(2) _cell_length_b 11.9665(2) _cell_length_c 29.3775(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2830.44(10) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 9987 _cell_measurement_theta_min 3.01 _cell_measurement_theta_max 68.23 _exptl_crystal_description rod _exptl_crystal_colour colorless _exptl_crystal_size_max 0.33 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.252 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1136 _exptl_absorpt_coefficient_mu 0.644 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8155 _exptl_absorpt_correction_T_max 0.9563 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_reflns_number 16912 _diffrn_reflns_av_R_equivalents 0.0247 _diffrn_reflns_av_sigmaI/netI 0.0240 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 35 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 68.28 _reflns_number_total 5019 _reflns_number_gt 4754 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+0.2390P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00165(14) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.06(16) _refine_ls_number_reflns 5019 _refine_ls_number_parameters 365 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0323 _refine_ls_R_factor_gt 0.0298 _refine_ls_wR_factor_ref 0.0769 _refine_ls_wR_factor_gt 0.0750 _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_restrained_S_all 1.056 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.45549(15) -0.00902(8) 0.11586(4) 0.0491(3) Uani 1 1 d . . . O2 O 1.00109(15) -0.83158(10) 0.01473(4) 0.0516(3) Uani 1 1 d . . . O3 O 0.8440(2) -0.85117(12) 0.22388(5) 0.0714(4) Uani 1 1 d . . . O4 O 0.57465(14) -0.36295(9) 0.01452(3) 0.0444(3) Uani 1 1 d . . . N1 N 0.51270(16) -0.52625(9) 0.18127(4) 0.0362(3) Uani 1 1 d . . . C1 C 0.5124(3) 0.10006(14) 0.12730(8) 0.0731(6) Uani 1 1 d . . . H1A H 0.5570 0.0997 0.1583 0.110 Uiso 1 1 calc R . . H1B H 0.4197 0.1529 0.1255 0.110 Uiso 1 1 calc R . . H1C H 0.5998 0.1227 0.1060 0.110 Uiso 1 1 calc R . . C2 C 0.56873(19) -0.09428(11) 0.11982(4) 0.0346(3) Uani 1 1 d . . . C3 C 0.50523(17) -0.20082(11) 0.11219(4) 0.0314(3) Uani 1 1 d . . . H3 H 0.3912 -0.2094 0.1047 0.038 Uiso 1 1 calc R . . C4 C 0.60533(16) -0.29425(11) 0.11539(4) 0.0305(3) Uani 1 1 d . . . C5 C 0.52836(16) -0.41079(11) 0.10980(4) 0.0298(3) Uani 1 1 d . . . C6 C 0.65859(16) -0.49708(11) 0.09834(4) 0.0289(3) Uani 1 1 d . . . H6 H 0.7387 -0.4791 0.0758 0.035 Uiso 1 1 calc R . . C7 C 0.66740(16) -0.59654(11) 0.11801(4) 0.0283(3) Uani 1 1 d . . . C8 C 0.80532(16) -0.67682(11) 0.10935(5) 0.0312(3) Uani 1 1 d . . . C9 C 0.83550(17) -0.71447(12) 0.06510(5) 0.0333(3) Uani 1 1 d . . . H9 H 0.7688 -0.6884 0.0406 0.040 Uiso 1 1 calc R . . C10 C 0.96296(18) -0.79007(13) 0.05685(5) 0.0409(3) Uani 1 1 d . . . C11 C 0.8966(2) -0.79924(17) -0.02190(5) 0.0546(4) Uani 1 1 d . . . H11A H 0.7817 -0.8206 -0.0151 0.082 Uiso 1 1 calc R . . H11B H 0.9329 -0.8367 -0.0499 0.082 Uiso 1 1 calc R . . H11C H 0.9029 -0.7181 -0.0260 0.082 Uiso 1 1 calc R . . C12 C 0.8463(2) -0.74970(16) 0.23006(6) 0.0522(4) Uani 1 1 d . . . C13 C 0.8168(3) -0.6991(2) 0.27626(6) 0.0705(6) Uani 1 1 d . . . H13A H 0.9249 -0.6801 0.2903 0.085 Uiso 1 1 calc R . . H13B H 0.7609 -0.7546 0.2960 0.085 Uiso 1 1 calc R . . C14 C 0.7098(3) -0.59370(18) 0.27317(5) 0.0636(5) Uani 1 1 d . . . H14 H 0.6983 -0.5623 0.3046 0.076 Uiso 1 1 calc R . . C15 C 0.8073(3) -0.50933(16) 0.24450(5) 0.0567(5) Uani 1 1 d . . . H15A H 0.7356 -0.4442 0.2377 0.068 Uiso 1 1 calc R . . H15B H 0.9041 -0.4824 0.2621 0.068 Uiso 1 1 calc R . . C16 C 0.8665(2) -0.56028(13) 0.20070(5) 0.0421(3) Uani 1 1 d . . . H16 H 0.8988 -0.5107 0.1770 0.051 Uiso 1 1 calc R . . C17 C 0.87723(19) -0.67020(13) 0.19237(5) 0.0398(3) Uani 1 1 d . . . C18 C 0.90481(18) -0.71398(12) 0.14557(5) 0.0365(3) Uani 1 1 d . . . C19 C 1.0587(2) -0.82940(14) 0.09264(6) 0.0490(4) Uani 1 1 d . . . H19 H 1.1440 -0.8825 0.0871 0.059 Uiso 1 1 calc R . . C20 C 1.0302(2) -0.79151(14) 0.13628(6) 0.0475(4) Uani 1 1 d . . . H20 H 1.0971 -0.8186 0.1605 0.057 Uiso 1 1 calc R . . C21 C 0.7340(2) -0.07972(12) 0.13080(5) 0.0406(3) Uani 1 1 d . . . H21 H 0.7777 -0.0072 0.1363 0.049 Uiso 1 1 calc R . . C22 C 0.8342(2) -0.17300(14) 0.13361(5) 0.0439(4) Uani 1 1 d . . . H22 H 0.9486 -0.1640 0.1406 0.053 Uiso 1 1 calc R . . C23 C 0.77187(19) -0.27957(13) 0.12647(5) 0.0393(3) Uani 1 1 d . . . H23 H 0.8429 -0.3426 0.1292 0.047 Uiso 1 1 calc R . . C24 C 0.39509(17) -0.41391(11) 0.07324(5) 0.0343(3) Uani 1 1 d . . . C25 C 0.4191(2) -0.39376(12) 0.02682(5) 0.0400(3) Uani 1 1 d . . . C26 C 0.2856(2) -0.40679(16) -0.00284(7) 0.0580(5) Uani 1 1 d . . . H26 H 0.2989 -0.3914 -0.0344 0.070 Uiso 1 1 calc R . . C27 C 0.1338(2) -0.44213(18) 0.01371(8) 0.0685(6) Uani 1 1 d . . . H27 H 0.0437 -0.4518 -0.0068 0.082 Uiso 1 1 calc R . . C28 C 0.1104(2) -0.46366(16) 0.05953(8) 0.0632(5) Uani 1 1 d . . . H28 H 0.0057 -0.4886 0.0704 0.076 Uiso 1 1 calc R . . C29 C 0.24241(19) -0.44832(13) 0.08939(6) 0.0448(4) Uani 1 1 d . . . C30 C 0.24706(19) -0.46776(13) 0.13981(6) 0.0488(4) Uani 1 1 d . . . H30A H 0.2192 -0.5464 0.1470 0.059 Uiso 1 1 calc R . . H30B H 0.1669 -0.4183 0.1555 0.059 Uiso 1 1 calc R . . C31 C 0.42814(19) -0.44038(12) 0.15481(5) 0.0374(3) Uani 1 1 d . . . H31 H 0.4238 -0.3713 0.1739 0.045 Uiso 1 1 calc R . . C32 C 0.4370(2) -0.54606(14) 0.22599(5) 0.0497(4) Uani 1 1 d . . . H32A H 0.3238 -0.5765 0.2214 0.060 Uiso 1 1 calc R . . H32B H 0.4258 -0.4736 0.2420 0.060 Uiso 1 1 calc R . . C33 C 0.5343(2) -0.62613(16) 0.25623(5) 0.0563(5) Uani 1 1 d . . . H33A H 0.5449 -0.6976 0.2395 0.068 Uiso 1 1 calc R . . H33B H 0.4654 -0.6413 0.2834 0.068 Uiso 1 1 calc R . . C34 C 0.53995(18) -0.62567(11) 0.15369(4) 0.0331(3) Uani 1 1 d . . . H34A H 0.4349 -0.6492 0.1391 0.040 Uiso 1 1 calc R . . H34B H 0.5807 -0.6878 0.1729 0.040 Uiso 1 1 calc R . . C35 C 0.6108(3) -0.35440(17) -0.03296(5) 0.0627(5) Uani 1 1 d . . . H35A H 0.5879 -0.4261 -0.0478 0.094 Uiso 1 1 calc R . . H35B H 0.7281 -0.3351 -0.0371 0.094 Uiso 1 1 calc R . . H35C H 0.5412 -0.2961 -0.0466 0.094 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0572(7) 0.0215(5) 0.0685(7) -0.0042(5) -0.0039(6) -0.0032(5) O2 0.0444(6) 0.0512(6) 0.0592(7) -0.0218(5) 0.0066(5) 0.0102(6) O3 0.0772(10) 0.0514(8) 0.0855(9) 0.0317(7) -0.0005(8) -0.0026(7) O4 0.0503(6) 0.0491(6) 0.0336(5) 0.0026(4) -0.0027(4) -0.0069(5) N1 0.0484(7) 0.0282(6) 0.0322(5) -0.0042(4) 0.0152(5) -0.0068(5) C1 0.0831(14) 0.0233(8) 0.1128(16) -0.0064(9) -0.0228(13) -0.0062(9) C2 0.0468(8) 0.0265(7) 0.0303(6) 0.0003(5) 0.0027(6) -0.0052(6) C3 0.0339(7) 0.0286(6) 0.0319(6) -0.0016(5) 0.0013(5) -0.0045(6) C4 0.0345(7) 0.0289(7) 0.0282(6) -0.0007(5) 0.0037(5) -0.0043(6) C5 0.0299(7) 0.0247(6) 0.0347(6) -0.0019(5) 0.0058(5) -0.0020(5) C6 0.0284(6) 0.0292(6) 0.0291(6) -0.0018(5) 0.0032(5) 0.0004(6) C7 0.0313(7) 0.0257(6) 0.0280(6) -0.0042(5) 0.0005(5) -0.0021(5) C8 0.0325(7) 0.0237(6) 0.0373(6) 0.0001(5) 0.0029(5) -0.0024(5) C9 0.0323(7) 0.0285(7) 0.0391(7) -0.0048(5) 0.0014(5) -0.0002(6) C10 0.0362(8) 0.0325(7) 0.0539(8) -0.0115(6) 0.0049(6) 0.0005(7) C11 0.0542(10) 0.0612(11) 0.0483(8) -0.0216(8) 0.0082(7) 0.0083(9) C12 0.0509(10) 0.0552(11) 0.0505(9) 0.0205(8) -0.0105(8) -0.0110(8) C13 0.0787(13) 0.0933(16) 0.0396(8) 0.0252(10) -0.0081(9) -0.0277(13) C14 0.0841(14) 0.0765(13) 0.0301(7) -0.0030(8) 0.0081(8) -0.0304(12) C15 0.0717(11) 0.0626(11) 0.0357(8) -0.0120(7) 0.0051(7) -0.0275(10) C16 0.0480(9) 0.0448(8) 0.0336(7) 0.0007(6) 0.0001(6) -0.0175(7) C17 0.0406(8) 0.0410(8) 0.0378(7) 0.0080(6) -0.0064(6) -0.0083(7) C18 0.0373(7) 0.0289(7) 0.0433(7) 0.0046(6) -0.0031(6) -0.0023(6) C19 0.0396(8) 0.0370(8) 0.0705(10) -0.0076(7) -0.0003(7) 0.0098(7) C20 0.0434(8) 0.0386(8) 0.0606(9) 0.0056(7) -0.0077(7) 0.0046(7) C21 0.0533(9) 0.0314(7) 0.0371(7) -0.0007(5) -0.0008(6) -0.0151(7) C22 0.0403(8) 0.0468(9) 0.0446(8) 0.0022(6) -0.0061(6) -0.0140(7) C23 0.0371(7) 0.0352(7) 0.0456(8) 0.0035(6) -0.0035(6) -0.0033(7) C24 0.0306(7) 0.0218(6) 0.0503(7) -0.0082(5) -0.0013(6) 0.0012(5) C25 0.0424(8) 0.0303(7) 0.0471(8) -0.0051(6) -0.0087(6) 0.0018(7) C26 0.0583(11) 0.0492(10) 0.0664(11) -0.0102(8) -0.0259(9) 0.0057(9) C27 0.0486(11) 0.0604(12) 0.0967(16) -0.0145(11) -0.0302(10) 0.0016(10) C28 0.0294(8) 0.0478(10) 0.1125(17) -0.0146(10) -0.0085(9) -0.0006(8) C29 0.0315(7) 0.0289(7) 0.0741(10) -0.0100(7) 0.0050(7) 0.0009(6) C30 0.0340(8) 0.0366(8) 0.0760(11) -0.0050(7) 0.0199(7) -0.0020(7) C31 0.0415(8) 0.0258(7) 0.0449(7) -0.0067(5) 0.0188(6) -0.0024(6) C32 0.0637(10) 0.0450(9) 0.0403(8) -0.0044(7) 0.0229(7) -0.0112(8) C33 0.0732(12) 0.0613(11) 0.0345(7) 0.0037(7) 0.0179(8) -0.0214(10) C34 0.0393(8) 0.0253(6) 0.0348(6) -0.0020(5) 0.0052(5) -0.0051(6) C35 0.0921(15) 0.0603(11) 0.0358(8) 0.0047(7) 0.0001(8) -0.0161(11) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C2 1.3732(18) . ? O1 C1 1.4237(19) . ? O2 C10 1.3683(17) . ? O2 C11 1.420(2) . ? O3 C12 1.228(2) . ? O4 C25 1.3543(19) . ? O4 C35 1.4285(18) . ? N1 C34 1.4559(16) . ? N1 C31 1.457(2) . ? N1 C32 1.4676(17) . ? C2 C21 1.380(2) . ? C2 C3 1.3918(18) . ? C3 C4 1.3814(19) . ? C4 C23 1.391(2) . ? C4 C5 1.5349(18) . ? C5 C6 1.5097(18) . ? C5 C24 1.5187(19) . ? C5 C31 1.5890(17) . ? C6 C7 1.3249(19) . ? C7 C8 1.4903(18) . ? C7 C34 1.5077(17) . ? C8 C9 1.3970(18) . ? C8 C18 1.4041(19) . ? C9 C10 1.389(2) . ? C10 C19 1.386(2) . ? C12 C17 1.481(2) . ? C12 C13 1.505(3) . ? C13 C14 1.530(3) . ? C14 C15 1.531(2) . ? C14 C33 1.547(3) . ? C15 C16 1.501(2) . ? C16 C17 1.341(2) . ? C17 C18 1.488(2) . ? C18 C20 1.398(2) . ? C19 C20 1.379(2) . ? C21 C22 1.380(2) . ? C22 C23 1.386(2) . ? C24 C29 1.380(2) . ? C24 C25 1.398(2) . ? C25 C26 1.393(2) . ? C26 C27 1.382(3) . ? C27 C28 1.383(3) . ? C28 C29 1.390(3) . ? C29 C30 1.500(3) . ? C30 C31 1.558(2) . ? C32 C33 1.524(3) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 O1 C1 116.57(14) . . ? C10 O2 C11 116.97(12) . . ? C25 O4 C35 117.92(13) . . ? C34 N1 C31 110.47(11) . . ? C34 N1 C32 115.39(11) . . ? C31 N1 C32 113.40(12) . . ? O1 C2 C21 124.48(13) . . ? O1 C2 C3 115.03(13) . . ? C21 C2 C3 120.49(14) . . ? C4 C3 C2 121.07(13) . . ? C3 C4 C23 118.44(13) . . ? C3 C4 C5 119.50(11) . . ? C23 C4 C5 121.93(12) . . ? C6 C5 C24 108.43(10) . . ? C6 C5 C4 111.40(11) . . ? C24 C5 C4 112.53(11) . . ? C6 C5 C31 112.70(11) . . ? C24 C5 C31 102.96(11) . . ? C4 C5 C31 108.57(10) . . ? C7 C6 C5 123.66(12) . . ? C6 C7 C8 122.99(12) . . ? C6 C7 C34 118.33(12) . . ? C8 C7 C34 118.47(11) . . ? C9 C8 C18 120.25(13) . . ? C9 C8 C7 119.76(12) . . ? C18 C8 C7 119.99(12) . . ? C10 C9 C8 120.05(13) . . ? O2 C10 C19 115.97(13) . . ? O2 C10 C9 124.05(14) . . ? C19 C10 C9 119.98(14) . . ? O3 C12 C17 121.83(17) . . ? O3 C12 C13 121.92(16) . . ? C17 C12 C13 116.25(16) . . ? C12 C13 C14 111.52(14) . . ? C13 C14 C15 106.68(17) . . ? C13 C14 C33 109.06(16) . . ? C15 C14 C33 117.18(16) . . ? C16 C15 C14 111.48(14) . . ? C17 C16 C15 125.13(14) . . ? C16 C17 C12 118.88(15) . . ? C16 C17 C18 121.59(13) . . ? C12 C17 C18 119.32(14) . . ? C20 C18 C8 118.30(13) . . ? C20 C18 C17 121.46(13) . . ? C8 C18 C17 120.24(13) . . ? C20 C19 C10 120.05(14) . . ? C19 C20 C18 121.33(14) . . ? C22 C21 C2 118.40(13) . . ? C21 C22 C23 121.56(14) . . ? C22 C23 C4 120.03(14) . . ? C29 C24 C25 120.66(14) . . ? C29 C24 C5 113.16(13) . . ? C25 C24 C5 125.99(13) . . ? O4 C25 C26 125.27(15) . . ? O4 C25 C24 115.79(12) . . ? C26 C25 C24 118.94(16) . . ? C27 C26 C25 119.81(19) . . ? C26 C27 C28 121.30(17) . . ? C27 C28 C29 119.04(17) . . ? C24 C29 C28 120.21(17) . . ? C24 C29 C30 111.32(14) . . ? C28 C29 C30 128.44(16) . . ? C29 C30 C31 105.67(12) . . ? N1 C31 C30 116.09(12) . . ? N1 C31 C5 111.33(11) . . ? C30 C31 C5 106.66(12) . . ? N1 C32 C33 114.18(14) . . ? C32 C33 C14 119.96(15) . . ? N1 C34 C7 107.48(11) . . ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 55.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.187 _refine_diff_density_min -0.115 _refine_diff_density_rms 0.027