Information card for entry 2011002

Structure parameters

• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• SMILES: N(=N(=O)c1ccccc1)c1ccc(O)cc1
• Title of publication: 4-Hydroxy-<i>ONN</i>-azoxybenzene
• Authors of publication: Ejsmont, Krzysztof; Domański, Andrzej; Kyzioł, Janusz; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 697 - 699
• a: 7.187 ± 0.001 Å
• b: 11.261 ± 0.002 Å
• c: 12.812 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1036.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes