Information card for entry 2225994

Structure parameters

• Common name: 1-(<i>o</i>-anisidino)anthraquinone
• Chemical name: 1-(2-Methoxyanilino)anthraquinone
• Formula: C21 H15 N O3
• Calculated formula: C21 H15 N O3
• SMILES: O=C1c2c(Nc3c(OC)cccc3)cccc2C(=O)c2ccccc12
• Title of publication: 1-(2-Methoxyanilino)anthraquinone
• Authors of publication: Lu, Lihua; He, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1117
• a: 11.4222 ± 0.0003 Å
• b: 7.9878 ± 0.0002 Å
• c: 16.9332 ± 0.0004 Å
• α: 90°
• β: 100.985 ± 0.0012°
• γ: 90°
• Cell volume: 1516.65 ± 0.07 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes