Information card for entry 2202991

Structure parameters

• Formula: C28 H23 Cl N4 O3 S
• Calculated formula: C28 H23 Cl N4 O3 S
• SMILES: C1COCCO1.Clc1ccccc1[C@H]1CN([C@]2([C@]31Sc1n(C3=O)c3c(n1)cccc3)C(=O)Nc1c2cccc1)C.Clc1ccccc1[C@@H]1CN([C@@]2([C@@]31Sc1n(C3=O)c3c(n1)cccc3)C(=O)Nc1c2cccc1)C
• Title of publication: 5'-(2-Chlorophenyl)-1'-methyl-2'',3''-dihydroindoline-3-spiro-3'-pyrrolidine-4'-spiro-2''-(1,3-benzimidazo[2,1-<i>b</i>]thiazole)-2,3''-dione dioxane hemisolvate
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Li, Gang; Wang, Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1307 - o1308
• a: 10.085 ± 0.003 Å
• b: 29.272 ± 0.009 Å
• c: 8.561 ± 0.003 Å
• α: 90°
• β: 99.287 ± 0.006°
• γ: 90°
• Cell volume: 2494.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes