Information card for entry 2202989

Structure parameters

• Formula: C22 H20 N4 O2 S
• Calculated formula: C22 H20 N4 O2 S
• SMILES: S1C2=NCCN2C(=O)[C@@]21[C@]1(N(C[C@@H]2c2ccccc2)C)c2ccccc2NC1=O.S1C2=NCCN2C(=O)[C@]21[C@@]1(N(C[C@H]2c2ccccc2)C)c2ccccc2NC1=O
• Title of publication: 1'-Methyl-5'-phenyl-2'',3'',5'',6''-tetrahydroindoline-3-spiro-3'-pyrrolidine-4'-spiro-2''-imidazo[2,1-<i>b</i>]thiazole-2,3''-dione
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Shi,Da-Xin; Li, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1288 - o1289
• a: 8.538 ± 0.003 Å
• b: 9.488 ± 0.003 Å
• c: 14.227 ± 0.005 Å
• α: 86.206 ± 0.006°
• β: 73.315 ± 0.006°
• γ: 64.091 ± 0.005°
• Cell volume: 990.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes