Information card for entry 4123918

Structure parameters

• Formula: C20 H15 Br O3
• Calculated formula: C20 H15 Br O3
• SMILES: Brc1ccc([C@@H](c2cc3OCOc3cc2O)c2ccccc2)cc1
• Title of publication: Asymmetric Synthesis of Triarylmethanes by Rhodium-Catalyzed Enantioselective Arylation of Diarylmethylamines with Arylboroxines.
• Authors of publication: Huang, Yinhua; Hayashi, Tamio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 24
• Pages of publication: 7556 - 7559
• a: 11.7952 ± 0.0006 Å
• b: 9.0065 ± 0.0005 Å
• c: 15.2933 ± 0.0008 Å
• α: 90°
• β: 99.549 ± 0.0016°
• γ: 90°
• Cell volume: 1602.15 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No