Information card for entry 2228809

Structure parameters

• Chemical name: Ethyl 4-(1,3-dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)benzoate
• Formula: C21 H15 N O4
• Calculated formula: C21 H15 N O4
• SMILES: CCOC(=O)c1ccc(cc1)N1C(=O)c2cccc3c2c(C1=O)ccc3
• Title of publication: Ethyl 4-(1,3-dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)benzoate
• Authors of publication: Chan, Yi Chen; Salhin, Abdussalam; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o98 - o99
• a: 5.2025 ± 0.0007 Å
• b: 18.066 ± 0.003 Å
• c: 17.56 ± 0.002 Å
• α: 90°
• β: 98.365 ± 0.002°
• γ: 90°
• Cell volume: 1632.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes