Information card for entry 2011001

Structure parameters

• Common name: 2,2'-dimethoxybiphenyl-5,5'-dimethanol
• Chemical name: 2,2'-dimethoxybiphenyl-5,5'-dimethanol
• Formula: C16 H18 O4
• Calculated formula: C16 H18 O4
• SMILES: O(c1c(cc(cc1)CO)c1c(OC)ccc(c1)CO)C
• Title of publication: Hydrogen bonds and C—H···O interactions in 2,2'-dimethoxybiphenyl-5,5'-dimethanol at 150K
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 677 - 678
• a: 11.4104 ± 0.0002 Å
• b: 7.4078 ± 0.0001 Å
• c: 16.9198 ± 0.0003 Å
• α: 90°
• β: 107.473 ± 0.001°
• γ: 90°
• Cell volume: 1364.17 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes