Information card for entry 2228473

Structure parameters

• Chemical name: 2-(Dimethylamino)anthraquinone
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: c1(ccc2C(=O)c3ccccc3C(=O)c2c1)N(C)C
• Title of publication: 2-(Dimethylamino)anthraquinone
• Authors of publication: Fei, Zhuan; Cai, Qun; Li, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3091
• a: 4.8614 ± 0.0006 Å
• b: 19.945 ± 0.002 Å
• c: 12.8624 ± 0.0015 Å
• α: 90°
• β: 95.979 ± 0.002°
• γ: 90°
• Cell volume: 1240.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes