Information card for entry 2232736

Structure parameters

• Common name: Methyl 2,4-bis(4-fluorophenyl)-6-methoxybenzoate
• Chemical name: Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate
• Formula: C21 H16 F2 O3
• Calculated formula: C21 H16 F2 O3
• SMILES: Fc1ccc(cc1)c1cc(OC)c(c(c1)c1ccc(F)cc1)C(=O)OC
• Title of publication: Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3390
• a: 8.127 ± 0.0001 Å
• b: 9.4681 ± 0.0001 Å
• c: 22.3297 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.21 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes