Information card for entry 7233409

Structure parameters

• Formula: C18 H12 O
• Calculated formula: C18 H12 O
• Title of publication: Polymorphism and resulting luminescence properties of 1-acetylpyrene
• Authors of publication: Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 38
• Pages of publication: 5845
• a: 10.4667 ± 0.0006 Å
• b: 11.5284 ± 0.0004 Å
• c: 10.3816 ± 0.0005 Å
• α: 90°
• β: 104.218 ± 0.006°
• γ: 90°
• Cell volume: 1214.32 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No