Information card for entry 2213085

Structure parameters

• Chemical name: 4'-Ferrocenyl-3'-(4-methoxybenzoyl)-1'-methylspiro[1H-indole-3(2H),2'- pyrrolidin]-2-one
• Formula: C30 H28 Fe N2 O3
• Calculated formula: C30 H28 Fe N2 O3
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]1([C@H]1[C@@H]([C@]6(c7ccccc7NC6=O)N(C1)C)C(=O)c1ccc(cc1)OC)[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[cH]12[cH]3[cH]4[cH]5[c]1([C@@H]1[C@H]([C@@]6(c7ccccc7NC6=O)N(C1)C)C(=O)c1ccc(cc1)OC)[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: 4'-Ferrocenyl-3'-(4-methoxybenzoyl)-1'-methylspiro[1<i>H</i>-indole-3(2<i>H</i>),2'-pyrrolidin]-2-one
• Authors of publication: B. K. Satis Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1287 - m1289
• a: 9.4895 ± 0.0005 Å
• b: 11.4943 ± 0.0006 Å
• c: 12.3633 ± 0.0007 Å
• α: 86.978 ± 0.001°
• β: 71.302 ± 0.001°
• γ: 77.822 ± 0.001°
• Cell volume: 1248.45 ± 0.12 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: 0.043
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes