data_2100079
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_chemical_formula_sum 'not given'
_symmetry_space_group_name_H-M  'C 2'
_space_group_crystal_system  monoclinic
_cell_length_a  19.1270
_cell_length_b  6.8970
_cell_length_c  15.1470
_cell_angle_alpha  90
_cell_angle_beta  119.85
_cell_angle_gamma  90
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  S1 -0.02987 0.59218 -0.27295 S
  C1 0.07730 0.54475 -0.21840 C
  N1 0.09500 0.39835 -0.13925 N
  C2 0.03360 0.38080 -0.10980 C
  C3 -0.01875 0.55575 -0.14850 C
  C4 0.12630 0.72930 -0.17540 C
  N2 0.10593 0.87617 -0.25260 N
  C5 0.14530 0.87655 -0.30690 C
  O1 0.18823 0.74773 -0.30500 O
  O2 0.12680 1.04075 -0.36125 O
  C6 0.15545 1.07105 -0.43410 C
  C7 0.12075 1.27075 -0.47650 C
  C8 0.24625 1.07225 -0.38000 C
  C9 0.11950 0.92000 -0.51600 C
  C10 0.15880 0.27740 -0.09640 C
  O3 0.16700 0.15855 -0.03310 O
  C11 0.22180 0.30855 -0.12860 C
  Cl1 0.28793 0.11118 -0.09645 Cl
  C12 -0.01525 0.19805 -0.15400 C
  O4 -0.00805 0.08365 -0.20650 O
  O5 -0.07150 0.19060 -0.12625 O
  C13 -0.12750 0.03250 -0.16600 C
  H1 0.10150 0.49465 -0.25895 H
  H2 0.06005 0.37395 -0.03400 H
  H3 0.00758 0.67032 -0.10320 H
  H4 -0.07237 0.53212 -0.15330 H
  H5 0.18467 0.69692 -0.14440 H
  H6 0.11545 0.78210 -0.12185 H
  H7 0.13550 1.30955 -0.52840 H
  H8 0.14220 1.36745 -0.41995 H
  H9 0.06020 1.26595 -0.50920 H
  H10 0.26430 1.09280 -0.43105 H
  H11 0.26680 1.18005 -0.32930 H
  H12 0.26725 0.94580 -0.34470 H
  H13 0.13872 0.94087 -0.56540 H
  H14 0.05920 0.93105 -0.55210 H
  H15 0.13588 0.78857 -0.48475 H
  H16 0.19385 0.32810 -0.20380 H
  H17 0.25400 0.42710 -0.09355 H
  H18 -0.16655 0.04215 -0.14030 H
  H19 -0.15765 0.03900 -0.24200 H
  H20 -0.09765 -0.09275 -0.14340 H