Information card for entry 8107251

Structure parameters

• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• Title of publication: Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2
• Authors of publication: Li, Chongyu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 917 - 919
• a: 11.017 ± 0.005 Å
• b: 12.14 ± 0.005 Å
• c: 23.346 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3122 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No