Information card for entry 2233056

Structure parameters

• Common name: 2,4'-dihydroxydiphenylmethane
• Chemical name: 2,4'-methylenediphenol
• Formula: C13 H12 O2
• Calculated formula: C13 H12 O2
• SMILES: c1(ccc(cc1)Cc1c(cccc1)O)O
• Title of publication: Redetermination of 2,4'-methylenediphenol
• Authors of publication: Peng, Wei-Dong; Chen, Sheng-Chun; An, Jie; Sun, Fu-An; Chen, Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3143
• a: 5.0923 ± 0.0005 Å
• b: 15.3743 ± 0.0014 Å
• c: 13.2321 ± 0.0012 Å
• α: 90°
• β: 96.66 ± 0.002°
• γ: 90°
• Cell volume: 1028.96 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes