Information card for entry 8105031

Structure parameters

• Chemical name: Crystal structure of 12-(2-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione
• Formula: C23 H13 N O4
• Calculated formula: C23 H13 N O4
• Title of publication: Crystal structure of 12-(2-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione, C23H13NO4
• Authors of publication: Luo, Peng; Chittiboyina, Amar G.; Wang, Mei; Khan, Ikhlas A.; Pan, Wei-Gao; Wei, Wan-Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 105 - 107
• a: 11.6537 ± 0.0006 Å
• b: 5.1315 ± 0.0002 Å
• c: 26.8047 ± 0.0013 Å
• α: 90°
• β: 96.266 ± 0.003°
• γ: 90°
• Cell volume: 1593.37 ± 0.13 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No