Information card for entry 7242617

Structure parameters

• Formula: C22 H28 Br2 Cl2 O4
• Calculated formula: C22 H28 Br2 Cl2 O4
• Title of publication: Catalytic enantioselective bromohydroxylation of cinnamyl alcohols
• Authors of publication: Li, Jing; Shi, Yian
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 13040 - 13046
• a: 10.45924 ± 0.00004 Å
• b: 10.51707 ± 0.00004 Å
• c: 22.10012 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.03 ± 0.016 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0174
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No