Information card for entry 7233410

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: 34.3656 ± 0.0014 Å
• b: 7.0662 ± 0.0003 Å
• c: 9.9016 ± 0.0004 Å
• α: 90°
• β: 98.266 ± 0.004°
• γ: 90°
• Cell volume: 2379.47 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No