Information card for entry 8107539

Structure parameters

• Common name: Tetracene-5,12-dione
• Chemical name: Tetracene-5,12-dione
• Formula: C18 H10 O2
• Calculated formula: C18 H10 O2
• SMILES: O=C1c2ccccc2C(=O)c2c1cc1c(c2)cccc1
• Title of publication: Crystal structure of tetracene-5,12-dione, C18H10O2
• Authors of publication: Zheng, Xiaoxin; Jiang, Jinke; Liu, Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 717 - 718
• a: 3.9566 ± 0.0001 Å
• b: 12.2859 ± 0.0003 Å
• c: 24.5014 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1191.02 ± 0.05 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No