Information card for entry 4118874

Structure parameters

• Formula: C18 H17 Br O2
• Calculated formula: C18 H17 Br O2
• SMILES: Brc1ccc(cc1)C1=C([C@H](C[C@H]1c1ccccc1)O)CO.Brc1ccc(cc1)C1=C([C@@H](C[C@@H]1c1ccccc1)O)CO
• Title of publication: Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates
• Authors of publication: Austin G. Smith; Huw M. L. Davies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18241 - 18244
• a: 13.2013 ± 0.0016 Å
• b: 14.1841 ± 0.0017 Å
• c: 9.6256 ± 0.0012 Å
• α: 90°
• β: 123.066 ± 0.001°
• γ: 90°
• Cell volume: 1510.5 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No