Information card for entry 2211336

Structure parameters

• Chemical name: (R)-3,3'-Dibromo-2,2'-dimethoxy-5,5',6,6',7,7',8,8'-octahydro- 1,1'-binaphthalene
• Formula: C22 H24 Br2 O2
• Calculated formula: C22 H24 Br2 O2
• SMILES: COc1c(Br)cc2c(c1c1c(OC)c(Br)cc3c1CCCC3)CCCC2
• Title of publication: (<i>R</i>)-3,3'-Dibromo-2,2'-dimethoxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene: a Brönsted acid for catalyzing asymmetric Morita‒Baylis‒Hillman reactions
• Authors of publication: He, Long; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5517 - o5519
• a: 9.778 ± 0.002 Å
• b: 11.787 ± 0.002 Å
• c: 16.972 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.113
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes