Information card for entry 2239573

Structure parameters

• Chemical name: 1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene
• Formula: C18 H24 O2
• Calculated formula: C18 H24 O2
• SMILES: COc1cc2c(cc1OC)CC=C[C@H]2C1CCCCC1
• Title of publication: 1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene
• Authors of publication: Chen, Shao-Yuan; Zhang, Ya-Ping; Huang, Bing; Yu, Jia-Jun; Shi, Wei-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o671
• a: 9.0635 ± 0.0004 Å
• b: 6.3973 ± 0.0003 Å
• c: 13.9872 ± 0.0007 Å
• α: 90°
• β: 104.241 ± 0.005°
• γ: 90°
• Cell volume: 786.08 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes