Information card for entry 2016304

Structure parameters

• Chemical name: 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol
• Formula: C12 H18 O2
• Calculated formula: C12 H18 O2
• SMILES: COc1ccc(cc1)C(C(C)(C)C)O
• Title of publication: Hydrogen-bonded networks in 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol
• Authors of publication: Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o720 - o722
• a: 20.8868 ± 0.0006 Å
• b: 6.00175 ± 0.00018 Å
• c: 17.3531 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.34 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes