Information card for entry 2212771

Structure parameters

• Chemical name: 4,4'-Bis(4-nitrophenoxy)biphenyl
• Formula: C24 H16 N2 O6
• Calculated formula: C24 H16 N2 O6
• SMILES: N(=O)(=O)c1ccc(Oc2ccc(cc2)c2ccc(Oc3ccc(N(=O)=O)cc3)cc2)cc1
• Title of publication: 4,4'-Bis(4-nitrophenoxy)biphenyl
• Authors of publication: Sajid, Samia; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1710 - o1711
• a: 10.6245 ± 0.0017 Å
• b: 9.0387 ± 0.0014 Å
• c: 10.4509 ± 0.0016 Å
• α: 90°
• β: 97.042 ± 0.013°
• γ: 90°
• Cell volume: 996 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes