Information card for entry 2209489

Structure parameters

• Chemical name: 1'-Methyl-4'-(1-naphthyl)-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''- thiazolo[3,2-a][1,3]benzimidazole-2(3H),3''(2''H)-dione
• Formula: C30 H22 N4 O2 S
• Calculated formula: C30 H22 N4 O2 S
• SMILES: S1[C@@]2(C(=O)n3c1nc1c3cccc1)[C@@]1(N(C)C[C@H]2c2cccc3ccccc23)c2ccccc2NC1=O.S1[C@]2(C(=O)n3c1nc1c3cccc1)[C@]1(N(C)C[C@@H]2c2cccc3ccccc23)c2ccccc2NC1=O
• Title of publication: 1'-Methyl-4'-(1-naphthyl)-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-thiazolo[3,2-<i>a</i>]benzimidazole-2(3<i>H</i>),3''(2''<i>H</i>)-dione
• Authors of publication: Xiu-Ling Zhang; Ai-Zhen Liu; Mei-Fang Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2961 - o2962
• a: 16.126 ± 0.004 Å
• b: 12.852 ± 0.004 Å
• c: 23.725 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4917 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes