data_global _amcsd_formula_title 'C24H38N2O4*H20' loop_ _publ_author_name 'Marsh R E' 'Herbstein F H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 44 _journal_year 1988 _journal_page_first 77 _journal_page_last 88 _publ_section_title ; More space-group changes ; _database_code_amcsd 0009823 _chemical_formula_sum 'C24 N2 O5 H2' _cell_length_a 18.943 _cell_length_b 11.318 _cell_length_c 24.376 _cell_angle_alpha 90 _cell_angle_beta 94.5 _cell_angle_gamma 90 _cell_volume 5210.028 _exptl_crystal_density_diffrn 1.016 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C11 0.47140 -0.02440 -0.13720 C22 0.46940 0.18830 -0.13150 C33 0.42740 0.13500 -0.08620 C44 0.40920 0.00680 -0.10010 C55 0.33570 0.00380 -0.13420 C66 0.30510 -0.11900 -0.13880 C77 0.32540 -0.20880 -0.10580 C88 0.38530 -0.20060 -0.06220 C99 0.40480 -0.07380 0.04920 C1010 0.28260 -0.31790 -0.11940 C1111 0.24600 -0.15650 -0.18100 C1212 0.45780 -0.12260 -0.18000 C1313 0.53890 0.05670 -0.10170 C1415 0.42640 0.28390 -0.16740 C1514 0.53940 0.24290 -0.10860 C1616 0.40900 0.18500 -0.03890 C1717 0.41960 0.31020 -0.02110 C1818 0.43140 0.44800 0.06200 C1919 0.28320 0.08260 0.10640 C2020 0.22520 0.26820 -0.10960 C2122 0.18000 -0.07720 -0.18110 C2221 0.27150 -0.16100 -0.23870 C2324 0.24600 -0.36450 -0.07120 C2423 0.32840 -0.41560 -0.14400 N11 0.48220 0.08720 -0.16780 N22 0.22820 -0.27660 -0.16260 O11 0.42880 0.39280 -0.04630 O22 0.41230 0.32130 0.03840 O33 0.27010 0.18270 -0.13480 O44 0.25670 0.05910 -0.06500 Wat12 0.11620 0.41900 0.27760