Information card for entry 2241553

Structure parameters

• Chemical name: Dimethyl 4,4'-dimethoxybiphenyl-3,3'-dicarboxylate
• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• SMILES: c1(ccc(OC)c(c1)C(=O)OC)c1cc(c(cc1)OC)C(=O)OC
• Title of publication: Crystal structure of dimethyl 4,4'-dimethoxybiphenyl-3,3'-dicarboxylate
• Authors of publication: Lundvall, Fredrik; Dietzel, Pascal D. C.; Fjellvåg, Helmer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 328 - 330
• a: 28.58 ± 0.0014 Å
• b: 4.0632 ± 0.0002 Å
• c: 14.4806 ± 0.0007 Å
• α: 90°
• β: 115.1 ± 0.001°
• γ: 90°
• Cell volume: 1522.78 ± 0.13 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes