Information card for entry 8106273

Structure parameters

• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• Title of publication: Crystal structure of 2-isopropyl-8-methyl-phenanthrene-3,4-dione, C18H16O2
• Authors of publication: Wu, Jichun; Luo, Guoyong; Liu, Yuchen; Yang, Wude
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 721 - 722
• a: 14.474 ± 0.006 Å
• b: 6.815 ± 0.003 Å
• c: 13.738 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1355.1 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No