Information card for entry 2213228

Structure parameters

• Chemical name: 4'-(4-Chlorophenyl)-1'-methylcycloheptane-1-spiro-3'-pyrrolidine-2'-spiro- 2''-indan-2,1'',3''-trione
• Formula: C25 H24 Cl N O3
• Calculated formula: C25 H24 Cl N O3
• SMILES: C1[C@H]([C@]2(C3(C(=O)c4ccccc4C3=O)N1C)CCCCCC2=O)c1ccc(cc1)Cl.C1[C@@H]([C@@]2(C3(C(=O)c4ccccc4C3=O)N1C)CCCCCC2=O)c1ccc(cc1)Cl
• Title of publication: 4'-(4-Chlorophenyl)-1'-methylcycloheptane-1-spiro-3'-pyrrolidine-2'-spiro-2''-indan-2,1'',3''-trione
• Authors of publication: C. Mamtha; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2230 - o2232
• a: 9.3282 ± 0.001 Å
• b: 19.025 ± 0.002 Å
• c: 12.5249 ± 0.0014 Å
• α: 90°
• β: 105.101 ± 0.002°
• γ: 90°
• Cell volume: 2146 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes