Information card for entry 2231417

Structure parameters

• Chemical name: 6-(4-Chlorophenyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine-5-carbaldehyde
• Formula: C20 H16 Cl N O
• Calculated formula: C20 H16 Cl N O
• SMILES: C1CCn2c(c(c(c12)c1ccccc1)c1ccc(cc1)Cl)C=O
• Title of publication: 6-(4-Chlorophenyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine-5-carbaldehyde
• Authors of publication: Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2292
• a: 21.1526 ± 0.0013 Å
• b: 11.5723 ± 0.0009 Å
• c: 17.1484 ± 0.0012 Å
• α: 90°
• β: 130.843 ± 0.004°
• γ: 90°
• Cell volume: 3175.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes