Information card for entry 2204428

Structure parameters

• Common name: 9-Nitroanthracene
• Chemical name: 9-Nitroanthracene
• Formula: C14 H9 N O2
• Calculated formula: C14 H9 N O2
• SMILES: N(=O)(=O)c1c2ccccc2cc2ccccc12
• Title of publication: Redetermination of 9-nitroanthracene at 100K
• Authors of publication: Glagovich, Neil M.; Foss, Paul C. D.; Michalewski, Oliver; Reed, Elizabeth M.; Strathearn, Katherine E.; Weiner, Yan F.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2125 - o2126
• a: 10.5117 ± 0.0007 Å
• b: 13.5401 ± 0.0009 Å
• c: 7.4285 ± 0.0005 Å
• α: 90°
• β: 103.197 ± 0.001°
• γ: 90°
• Cell volume: 1029.37 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0514
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes