Information card for entry 8105937

Structure parameters

• Formula: C18 H10 Br N O2
• Calculated formula: C18 H10 Br N O2
• SMILES: C1(=O)C(=Cn2c3c1cc(cc3cc2c1ccccc1)Br)C=O
• Title of publication: Crystal structure of 8-bromo-6-oxo-2-phenyl-6H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde, C18H11BrNO2
• Authors of publication: Maluleka, Marole M.; Mphahlele, Malose J.; Onwu, Eugene E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1063 - 1065
• a: 20.745 ± 0.002 Å
• b: 6.7956 ± 0.0008 Å
• c: 20.47 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2885.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No