Information card for entry 2236309

Structure parameters

• Chemical name: 11-(4-Methylphenyl)-8,9-dihydro-7<i>H</i>- benzo[<i>f</i>]cyclopenta[<i>b</i>]quinolin-10(11<i>H</i>)-one
• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• SMILES: O=C1C2=C(Nc3c(C2c2ccc(cc2)C)c2c(cc3)cccc2)CC1
• Title of publication: 11-(4-Methylphenyl)-8,9-dihydro-7<i>H</i>-benzo[<i>f</i>]cyclopenta[<i>b</i>]quinolin-10(11<i>H</i>)-one
• Authors of publication: Yang, Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2746
• a: 8.727 ± 0.001 Å
• b: 11.682 ± 0.0014 Å
• c: 16.24 ± 0.002 Å
• α: 90°
• β: 98.938 ± 0.005°
• γ: 90°
• Cell volume: 1635.5 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes