Information card for entry 2210422

Structure parameters

• Common name: 1,4-bis(4-nitrophenoxy)benzene
• Chemical name: 1,4-bis(4-nitrophenoxy)benzene
• Formula: C18 H12 N2 O6
• Calculated formula: C18 H12 N2 O6
• SMILES: c1(ccc(cc1)N(=O)=O)Oc1ccc(Oc2ccc(cc2)N(=O)=O)cc1
• Title of publication: 1,4-Bis(4-nitrophenoxy)benzene
• Authors of publication: Butt, M. Saeed; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3992 - o3993
• a: 7.2861 ± 0.0006 Å
• b: 10.1381 ± 0.0009 Å
• c: 12.0838 ± 0.0011 Å
• α: 91.973 ± 0.007°
• β: 106.497 ± 0.007°
• γ: 110.152 ± 0.006°
• Cell volume: 794.74 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes