Information card for entry 8105168

Structure parameters

• Formula: C23 H14 O
• Calculated formula: C23 H14 O
• Title of publication: Crystal structure of 2-benzoylpyrene, C23H14O
• Authors of publication: Li, Jing-Yang; Miao, Bao-Xi; Zhao, Yun; Zhang, Li-Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 547 - 549
• a: 12.931 ± 0.003 Å
• b: 10.486 ± 0.002 Å
• c: 23.004 ± 0.005 Å
• α: 90°
• β: 104.8 ± 0.03°
• γ: 90°
• Cell volume: 3015.7 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No