Information card for entry 1503836

Structure parameters

• Common name: RJ-001-X
• Chemical name: (<i>R</i>)-2,2-Dibenzylcyclopentyl 3,5-dibromobenzoate
• Formula: C26 H24 Br2 O2
• Calculated formula: C26 H24 Br2 O2
• SMILES: [C@@H]1(C(CCC1)(Cc1ccccc1)Cc1ccccc1)OC(=O)c1cc(cc(c1)Br)Br
• Title of publication: Highly enantioselective oxazaborolidine-catalyzed reduction of 1,3-dicarbonyl compounds: role of the additive diethylaniline.
• Authors of publication: Chein, Rong-Jie; Yeung, Ying-Yeung; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1611 - 1614
• a: 13.4765 ± 0.0001 Å
• b: 13.4765 ± 0.0001 Å
• c: 10.5602 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1660.95 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No