Information card for entry 2209080

Structure parameters

• Chemical name: 7,8-Dihydro-7,7-dimethyl-5-p-tolyl-10-(3,4,5-trimethoxyphenyl)-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione hemihydrate
• Formula: C34 H34 N O5.5
• Calculated formula: C34 H34 N O5.5
• SMILES: COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)c1c2cccc1)c1ccc(cc1)C.O
• Title of publication: 7,8-Dihydro-7,7-dimethyl-5-<i>p</i>-tolyl-10-(3,4,5-trimethoxyphenyl)-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione hemihydrate
• Authors of publication: Tu, Shu-Jiang; Jiang, Bo; Yao, Cheng-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2406 - o2407
• a: 25.094 ± 0.006 Å
• b: 12.755 ± 0.003 Å
• c: 19.891 ± 0.005 Å
• α: 90°
• β: 103.926 ± 0.004°
• γ: 90°
• Cell volume: 6179 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1921
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes