Information card for entry 2233118

Structure parameters

• Chemical name: 3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid
• Formula: C28 H18 O10
• Calculated formula: C28 H18 O10
• SMILES: C(=O)(c1c(C(=O)O)c(ccc1)Oc1ccc(cc1)c1ccc(cc1)Oc1c(C(=O)O)c(C(=O)O)ccc1)O
• Title of publication: 3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid
• Authors of publication: Zhao, Ningning; Li, Wenjun; Chang, Zhidong; Sun, Changyan; Fan, Hongxia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o211
• a: 21.5817 ± 0.0007 Å
• b: 11.2676 ± 0.0004 Å
• c: 9.5025 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.76 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes