Information card for entry 2213398

Structure parameters

• Common name: Bis(2-hydroxy-5-methylphenyl)ethane
• Chemical name: 2,2'-ethylidenebis(4-methylphenol)
• Formula: C16 H18 O2
• Calculated formula: C16 H18 O2
• SMILES: Oc1ccc(C)cc1C(C)c1c(O)ccc(c1)C
• Title of publication: 2,2'-Ethylidenebis(4-methylphenol)
• Authors of publication: Dong, Su-Lan; Wu, Wen-Yuan; Tian, Wen-Wen; Xu, Jia-Ying; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2357 - o2358
• a: 8.668 ± 0.0017 Å
• b: 9.64 ± 0.0019 Å
• c: 16.424 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1372.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes