Information card for entry 7233408

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: 12.5556 ± 0.0011 Å
• b: 10.9547 ± 0.0012 Å
• c: 26.244 ± 0.003 Å
• α: 90°
• β: 91.529 ± 0.009°
• γ: 90°
• Cell volume: 3608.4 ± 0.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2173
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2825
• Weighted residual factors for all reflections included in the refinement: 0.386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No