Information card for entry 2212693

Structure parameters

• Chemical name: 7-phenyl-6-benzoyl-2,3-dihydro-1H-pyrrolizine
• Formula: C20 H17 N O
• Calculated formula: C20 H17 N O
• SMILES: O=C(c1c(c2n(CCC2)c1)c1ccccc1)c1ccccc1
• Title of publication: 6-Benzoyl-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine
• Authors of publication: Liu, Yu-min; Hu, Yong-qi; Li, Xiao-yun; Chen, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1106 - o1107
• a: 8.302 ± 0.002 Å
• b: 11.452 ± 0.004 Å
• c: 16.106 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1531.3 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes