Information card for entry 2225714

Structure parameters

• Common name: 10,10-Dimethylanthrone
• Chemical name: 10,10-Dimethyl-10<i>H</i>-anthracen-9-one
• Formula: C16 H14 O
• Calculated formula: C16 H14 O
• SMILES: O=C1c2ccccc2C(c2c1cccc2)(C)C
• Title of publication: 10,10-Dimethylanthrone
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Siddaraju, B. P.; Yathirajan, H. S.; Siddegowda, M. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o808 - o809
• a: 11.2438 ± 0.0006 Å
• b: 12.1105 ± 0.0006 Å
• c: 15.1025 ± 0.0008 Å
• α: 107.955 ± 0.001°
• β: 98.734 ± 0.001°
• γ: 111.764 ± 0.001°
• Cell volume: 1732.48 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes