Information card for entry 2228078

Structure parameters

• Chemical name: 7-(4-Methylphenyl)cyclopenta[<i>a</i>]quinolizine-10-carbaldehyde
• Formula: C20 H15 N O
• Calculated formula: C20 H15 N O
• SMILES: n12cc(c3ccc(cc3)C)c3ccc(C=O)c3c1cccc2
• Title of publication: 7-(4-Methylphenyl)cyclopenta[<i>a</i>]quinolizine-10-carbaldehyde
• Authors of publication: Rybakov, Victor B.; Gormay, Pavel V.; Babaev, Eugene V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2958
• a: 7.2907 ± 0.0013 Å
• b: 8.9627 ± 0.0014 Å
• c: 12.0162 ± 0.0019 Å
• α: 88.48 ± 0.02°
• β: 81.4 ± 0.019°
• γ: 67.821 ± 0.018°
• Cell volume: 718.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes