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data_C19H26O2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_Int_Tables_number      4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a                   8.5973(10)
_cell_length_b                   7.2630(10)
_cell_length_c                   13.3032(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.863(9)
_cell_angle_gamma                90.00
_cell_volume                     830.242
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.86330(18) 0.2367(3) 0.91305(13)
H1O H 0.920(3) 0.290(4) 0.9573(19)
O2 O 0.94493(19) 0.8730(3) 0.93722(14)
H2O H 0.920(4) 0.991(3) 0.925(2)
C1 C 0.7340(3) 0.3568(4) 0.88933(18)
H1 H 0.646(3) 0.269(3) 0.8768(19)
C2 C 0.7023(2) 0.4739(4) 0.98072(19)
C3 C 0.6308(3) 0.3892(4) 1.06252(18)
H3 H 0.5941 0.2661 1.0567
C4 C 0.6139(3) 0.4853(4) 1.1512(2)
H4 H 0.5655 0.4279 1.2062
C5 C 0.6666(3) 0.6629(4) 1.1603(2)
H5 H 0.6576 0.7268 1.2222
C6 C 0.7331(3) 0.7492(4) 1.0793(2)
H6 H 0.7665 0.8736 1.0853
C7 C 0.7515(2) 0.6546(4) 0.98901(19)
C8 C 0.8234(3) 0.7521(4) 0.90112(19)
H8 H 0.744(3) 0.837(4) 0.8656(18)
C9 C 0.8879(3) 0.6189(4) 0.82423(19)
H9 H 0.976(3) 0.548(4) 0.8585(18)
C10 C 0.7633(2) 0.4717(4) 0.79500(19)
C11 C 0.9494(3) 0.7204(4) 0.7356(2)
H11 H 0.8763 0.7818 0.6923
C12 C 1.0970(4) 0.7305(6) 0.7135(2)
H12A H 1.1735 0.6708 0.7550
H12B H 1.1272 0.7974 0.6559
C13 C 0.8229(3) 0.3484(4) 0.70988(19)
H13A H 0.8281 0.4236 0.6480
H13B H 0.9303 0.3089 0.7284
C14 C 0.7261(3) 0.1776(4) 0.6860(2)
H14A H 0.7325 0.0927 0.7442
H14B H 0.6158 0.2139 0.6754
C15 C 0.7795(3) 0.0781(4) 0.5938(2)
H15A H 0.8855 0.0942 0.5779
C16 C 0.6952(3) -0.0297(4) 0.5321(2)
C17 C 0.5239(3) -0.0664(5) 0.5420(2)
H17A H 0.5080 -0.1965 0.5583
H17B H 0.4687 -0.0371 0.4784
H17C H 0.4835 0.0106 0.5958
C18 C 0.7679(4) -0.1300(5) 0.4464(2)
H18A H 0.8799 -0.1042 0.4470
H18B H 0.7200 -0.0884 0.3826
H18C H 0.7514 -0.2627 0.4539
C19 C 0.6090(3) 0.5621(4) 0.7597(2)
H19A H 0.5330 0.4662 0.7415
H19B H 0.6269 0.6399 0.7010
H19C H 0.5690 0.6377 0.8141

#END