Information card for entry 2239319

Structure parameters

• Chemical name: <i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: COc1ccc(cc1)[C@@H]1C=C(C)c2c([C@@H]1O)cccc2.COc1ccc(cc1)[C@H]1C=C(C)c2c([C@H]1O)cccc2
• Title of publication: <i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
• Authors of publication: Lough, Alan J.; Raheem, Mohammed-Abdul; Tam, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o546
• a: 11.455 ± 0.0003 Å
• b: 11.2239 ± 0.0003 Å
• c: 44.3776 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5705.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes