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data_lajkiewicz5a_0m
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   9.8122(2)
_cell_length_b                   22.2466(5)
_cell_length_c                   10.2293(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.4100(10)
_cell_angle_gamma                90.00
_cell_volume                     2218.98
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O -0.27620(10) 0.76182(5) 0.57089(11)
O2 O 0.11927(9) 0.63543(4) 0.54357(9)
O3 O 0.69823(11) 0.54323(5) 0.78244(11)
O4 O 0.34782(10) 0.74124(4) 0.51269(10)
H4 H 0.426(2) 0.7327(8) 0.4868(18)
O5 O 0.42013(10) 0.69939(5) 0.27409(10)
O6 O 0.46134(11) 0.61648(5) 0.15070(11)
O7 O 0.11270(11) 0.82930(4) 0.37440(10)
C1 C -0.33431(15) 0.72076(7) 0.65666(16)
H1A H -0.3548 0.6826 0.6107
H1B H -0.4190 0.7378 0.6834
H1C H -0.2689 0.7137 0.7348
C2 C -0.15005(14) 0.74767(6) 0.53580(14)
C3 C -0.08570(14) 0.69292(6) 0.56362(13)
H3 H -0.1272 0.6617 0.6088
C4 C 0.04296(13) 0.68651(6) 0.52130(12)
C5 C 0.23444(13) 0.63931(6) 0.46545(13)
C6 C 0.35819(13) 0.61362(6) 0.54968(13)
C7 C 0.46666(14) 0.58547(6) 0.49665(14)
H7 H 0.4639 0.5815 0.4039
C8 C 0.57839(15) 0.56323(6) 0.57700(15)
H8 H 0.6518 0.5448 0.5388
C9 C 0.58399(14) 0.56768(6) 0.71253(14)
C10 C 0.69930(18) 0.53957(9) 0.92184(17)
H10A H 0.6901 0.5800 0.9579
H10B H 0.7859 0.5217 0.9603
H10C H 0.6226 0.5145 0.9430
C11 C 0.36799(14) 0.61960(6) 0.68601(14)
H11 H 0.2973 0.6401 0.7242
C12 C 0.47819(14) 0.59642(6) 0.76791(14)
H12 H 0.4812 0.6002 0.8607
C13 C 0.10776(14) 0.73034(6) 0.45574(13)
C14 C 0.24702(14) 0.70884(6) 0.43075(13)
C15 C 0.27253(14) 0.71124(6) 0.28775(14)
H15 H 0.2329 0.7471 0.2383
C16 C 0.38555(15) 0.64817(7) 0.20261(14)
C17 C 0.23484(14) 0.65082(6) 0.22251(13)
H17 H 0.1697 0.6528 0.1401
C18 C 0.19398(14) 0.60678(6) 0.32908(13)
H18 H 0.2517 0.5698 0.3267
C19 C 0.04449(14) 0.58796(6) 0.30718(12)
C20 C -0.05966(14) 0.62704(6) 0.25680(13)
H20 H -0.0369 0.6667 0.2322
C21 C -0.19596(15) 0.60896(6) 0.24212(14)
H21 H -0.2656 0.6361 0.2073
C22 C -0.23058(15) 0.55124(6) 0.27841(14)
H22 H -0.3237 0.5387 0.2686
C23 C -0.12823(15) 0.51215(6) 0.32902(14)
H23 H -0.1515 0.4728 0.3551
C24 C 0.00822(14) 0.53005(6) 0.34198(13)
H24 H 0.0776 0.5025 0.3750
C25 C 0.04133(15) 0.78576(6) 0.43163(13)
C26 C 0.05541(18) 0.88866(6) 0.36907(16)
H26A H -0.0296 0.8890 0.3089
H26B H 0.1211 0.9169 0.3375
H26C H 0.0356 0.9007 0.4572
C27 C -0.08828(15) 0.79374(6) 0.46977(14)
H27 H -0.1356 0.8305 0.4512

#END