Information card for entry 2232320

Structure parameters

• Chemical name: 7-(3-Nitrophenyl)-9,10-dihydro-7<i>H</i>- benzo[<i>h</i>]cyclopenta[<i>b</i>]quinolin-8(11<i>H</i>)-one
• Formula: C22 H16 N2 O3
• Calculated formula: C22 H16 N2 O3
• SMILES: O=C1C2=C(Nc3c(C2c2cc(N(=O)=O)ccc2)ccc2c3cccc2)CC1
• Title of publication: 7-(3-Nitrophenyl)-9,10-dihydro-7<i>H</i>-benzo[<i>h</i>]cyclopenta[<i>b</i>]quinolin-8(11<i>H</i>)-one
• Authors of publication: Li, Tuanjie; Zhang, Honghong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3068
• a: 10.256 ± 0.001 Å
• b: 13.757 ± 0.0014 Å
• c: 11.983 ± 0.0012 Å
• α: 90°
• β: 104.827 ± 0.005°
• γ: 90°
• Cell volume: 1634.4 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes