Information card for entry 2228863

Structure parameters

• Chemical name: <i>N</i>-(9,11-Dimethoxy-4-oxo-2,3,4,6,7,11b-hexahydro-1<i>H</i>-pyrido[2,1-<i>a</i>]isoquinolin-3-yl)benzamide
• Formula: C22 H24 N2 O4
• Calculated formula: C22 H24 N2 O4
• SMILES: COc1cc(OC)c2c(c1)CCN1[C@H]2CC[C@@H](C1=O)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-(9,11-Dimethoxy-4-oxo-2,3,4,6,7,11b-hexahydro-1<i>H</i>-pyrido[2,1-<i>a</i>]isoquinolin-3-yl)benzamide
• Authors of publication: Fun, Hoong-Kun; Kuntiyong, Punlop; Tuntiwachwuttikul, Pittaya; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o113 - o114
• a: 12.653 ± 0.0003 Å
• b: 15.5256 ± 0.0004 Å
• c: 19.7819 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3886.06 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes