Information card for entry 2224843

Structure parameters

• Chemical name: 2,4-Dinitro-1-phenoxybenzene
• Formula: C12 H8 N2 O5
• Calculated formula: C12 H8 N2 O5
• Title of publication: 2,4-Dinitro-1-phenoxybenzene
• Authors of publication: Du, Zhen-Ting; Xu, Yan; Yu, Hong-Rui; Li, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o415
• a: 21.012 ± 0.013 Å
• b: 6.917 ± 0.004 Å
• c: 8.211 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1193.4 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes