Information card for entry 8107209

Structure parameters

• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• Title of publication: Crystal structure of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, C16H13NO4
• Authors of publication: Wang, Tiantian; Su, Yizi; Feng, Yunyun; Deng, Xin; Tan, Yuxing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 765 - 766
• a: 9.93 ± 0.003 Å
• b: 6.9807 ± 0.0018 Å
• c: 18.954 ± 0.005 Å
• α: 90°
• β: 93.08 ± 0.004°
• γ: 90°
• Cell volume: 1312 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No