Information card for entry 8104562

Structure parameters

• Formula: C18 H12 O
• Calculated formula: C18 H12 O
• Title of publication: Synthesis and crystal structure of 4-acetylpyrene, C18H12O
• Authors of publication: Ran, Zhang; Hui, Wang; Bao-Xi, Miao; Li-Fang, Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1187 - 1190
• a: 10.132 ± 0.002 Å
• b: 10.654 ± 0.002 Å
• c: 11.73 ± 0.002 Å
• α: 90.31 ± 0.03°
• β: 102.38 ± 0.03°
• γ: 104.81 ± 0.03°
• Cell volume: 1193.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No