Information card for entry 2219264

Structure parameters

• Chemical name: 3-(4-Fluorophenyl)-1-[1'-(4-fluorophenyl)-2-oxo-5',6',7',7a'-tetrahydro- 1<i>H</i>-indole-3(2<i>H</i>)-spiro-3'(2'<i>H</i>)-1<i>H</i>'-pyrrolizin-2'- yl]prop-2-en-1-one
• Formula: C29 H24 F2 N2 O2
• Calculated formula: C29 H24 F2 N2 O2
• SMILES: Fc1ccc(cc1)/C=C/C(=O)[C@H]1[C@H](c2ccc(cc2)F)[C@@H]2N([C@@]31C(=O)Nc1c3cccc1)CCC2.Fc1ccc(cc1)/C=C/C(=O)[C@@H]1[C@@H](c2ccc(cc2)F)[C@H]2N([C@]31C(=O)Nc1c3cccc1)CCC2
• Title of publication: 3-(4-Fluorophenyl)-1-[1'-(4-fluorophenyl)-2-oxo-5',6',7',7a'-tetrahydro-1<i>H</i>-indole-3(2<i>H</i>)-spiro-3'(2'<i>H</i>)-1<i>H</i>'-pyrrolizin-2'-yl]prop-2-en-1-one
• Authors of publication: Nirmala, S.; Murugan, R.; Kamala, E. Theboral Sugi; Sudha, L.; Sriman Narayanan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1774 - o1775
• a: 8.3985 ± 0.0004 Å
• b: 12.0018 ± 0.0006 Å
• c: 12.5628 ± 0.0006 Å
• α: 96.464 ± 0.002°
• β: 104.348 ± 0.002°
• γ: 104.144 ± 0.002°
• Cell volume: 1169.23 ± 0.1 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: 0.0865
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes