Information card for entry 2205365

Structure parameters

• Common name: 1,4,11,12-Tetrahydro-9,10-anthraquinone
• Chemical name: 1,4,11,12-Tetrahydro-9,10-anthraquinone
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: c1cc2C(=O)[C@H]3CC=CC[C@H]3C(=O)c2cc1
• Title of publication: 1,4,11,12-Tetrahydro-9,10-anthraquinone
• Authors of publication: Andreas Decken; S. M. Mattar; A. Emwas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o641 - o642
• a: 5.0708 ± 0.0003 Å
• b: 9.6094 ± 0.0006 Å
• c: 11.9258 ± 0.0008 Å
• α: 66.348 ± 0.001°
• β: 86.081 ± 0.001°
• γ: 80.935 ± 0.002°
• Cell volume: 525.64 ± 0.06 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes