Information card for entry 2240919

Structure parameters

• Chemical name: 2'-[(2',4'-Difluorobiphenyl-4-yl)carbonyl]-1'-phenyl-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1<i>H</i>)-one
• Formula: C33 H26 F2 N2 O2
• Calculated formula: C33 H26 F2 N2 O2
• Title of publication: Crystal structure of 2'-[(2',4'-difluorobiphenyl-4-yl)carbonyl]-1'-phenyl-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1<i>H</i>)-one
• Authors of publication: Fathimunnisa, M.; Manikandan, H.; Selvanayagam, S.; Sridhar, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 915 - 918
• a: 12.6019 ± 0.0013 Å
• b: 9.3128 ± 0.001 Å
• c: 22.441 ± 0.002 Å
• α: 90°
• β: 98.805 ± 0.002°
• γ: 90°
• Cell volume: 2602.6 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes