Information card for entry 2228907

Structure parameters

• Chemical name: Spiro[indene-1,1'-benzo[<i>e</i>]indolin]-2'-one
• Formula: C20 H13 N O
• Calculated formula: C20 H13 N O
• SMILES: O=C1Nc2c(C31C=Cc1c3cccc1)c1ccccc1cc2
• Title of publication: Spiro[indene-1,1'-benzo[<i>e</i>]indolin]-2'-one
• Authors of publication: Chen, Jin-Xiang; Wang, Yu-Qin; Liu, Shu-Wen; Lin, Wei-Er; Chen, Zhi-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o9
• a: 13.015 ± 0.0018 Å
• b: 7.918 ± 0.0011 Å
• c: 15.537 ± 0.002 Å
• α: 90°
• β: 112.03 ± 0.002°
• γ: 90°
• Cell volume: 1484.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0879
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes