Information card for entry 2225079

Structure parameters

• Chemical name: (<i>R</i>)-2'-Benzyloxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2-ol
• Formula: C27 H28 O2
• Calculated formula: C27 H28 O2
• SMILES: Oc1ccc2c(c1c1c(OCc3ccccc3)ccc3c1CCCC3)CCCC2
• Title of publication: (<i>R</i>)-2'-Benzyloxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2-ol
• Authors of publication: Abreu, Artur R.; Ramos Silva, Manuela; Pereira, Mariette M.; Bayon, J. Carles; Matos Beja, Ana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o437
• a: 8.9871 ± 0.0003 Å
• b: 11.6926 ± 0.0003 Å
• c: 20.0324 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2105.06 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes