Information card for entry 2221599

Structure parameters

• Chemical name: Methyl 3-[ferrocenyl(hydroxy)methyl]-1-methyl-2'-oxospiro[pyrrolidine-2,3'- indoline]-3-carboxylate
• Formula: C25 H26 Fe N2 O4
• Calculated formula: C25 H26 Fe N2 O4
• SMILES: [C@]1(CCN([C@@]21c1ccccc1NC2=O)C)([C@H]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)O)C(=O)OC.[C@@]1(CCN([C@]21c1ccccc1NC2=O)C)([C@@H]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)O)C(=O)OC
• Title of publication: Methyl 3-[ferrocenyl(hydroxy)methyl]-1-methyl-2'-oxospiro[pyrrolidine-2,3'-indoline]-3-carboxylate
• Authors of publication: Kamala, E. Theboral Sugi; Nirmala, S.; Sudha, L.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m531 - m532
• a: 9.012 ± 0.0002 Å
• b: 24.0565 ± 0.0004 Å
• c: 9.9538 ± 0.0002 Å
• α: 90°
• β: 93.203 ± 0.001°
• γ: 90°
• Cell volume: 2154.58 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes