Information card for entry 2211064

Structure parameters

• Chemical name: 10-(4-Bromophenyl)-5,7,7-trimethyl-7,8-dihydro-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione
• Formula: C25 H22 Br N O2
• Calculated formula: C25 H22 Br N O2
• SMILES: Brc1ccc(C2C3=C(N(C4=C2C(=O)CC(C4)(C)C)C)c2ccccc2C3=O)cc1
• Title of publication: 10-(4-Bromophenyl)-5,7,7-trimethyl-7,8-dihydro-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione
• Authors of publication: Zi-Qiang Tang; Bo Jiang; Shu-Jiang Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5119 - o5120
• a: 20.821 ± 0.005 Å
• b: 12.18 ± 0.003 Å
• c: 18.693 ± 0.005 Å
• α: 90°
• β: 119.23 ± 0.003°
• γ: 90°
• Cell volume: 4136.9 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes