Information card for entry 2229469

Structure parameters

• Chemical name: 1-Dimethylamino-9,10-anthraquinone
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: c1(cccc2C(=O)c3ccccc3C(=O)c12)N(C)C
• Title of publication: 1-Dimethylamino-9,10-anthraquinone
• Authors of publication: Niedziałkowski, Paweł; Narloch, Joanna; Trzybiński, Damian; Ossowski, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o723
• a: 7.2823 ± 0.0003 Å
• b: 11.1519 ± 0.0007 Å
• c: 14.9834 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1216.82 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes