Information card for entry 2231433

Structure parameters

• Chemical name: 9,9-Dimethyl-9,10-dihydroanthracene
• Formula: C16 H16
• Calculated formula: C16 H16
• SMILES: c12ccccc1Cc1ccccc1C2(C)C
• Title of publication: 9,9-Dimethyl-9,10-dihydroanthracene
• Authors of publication: Siddaraju, B. P.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2397
• a: 12.7042 ± 0.0015 Å
• b: 7.4882 ± 0.0007 Å
• c: 13.177 ± 0.002 Å
• α: 90°
• β: 107.787 ± 0.014°
• γ: 90°
• Cell volume: 1193.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes