Information card for entry 8104904

Structure parameters

• Common name: benzanthrone
• Chemical name: benzanthrone
• Formula: C17 H10 O
• Calculated formula: C17 H10 O
• Title of publication: Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms
• Authors of publication: Manana, Pholani; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 139 - 141
• a: 5.0604 ± 0.0012 Å
• b: 14.672 ± 0.003 Å
• c: 14.846 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1102.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No