Information card for entry 7160517

Structure parameters

• Formula: C21 H22 Br N O6
• Calculated formula: C21 H22 Br N O6
• Title of publication: Constructing chiral bicyclo[3.2.1]octanes <i>via</i> low-loading organocatalysis.
• Authors of publication: Ashok, Etikala; Lakshmi, Pandhiti R.; Sravanthi, Revoju; Ramachary, Dhevalapally B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5616 - 5628
• a: 7.0203 ± 0.0007 Å
• b: 10.9547 ± 0.001 Å
• c: 28.092 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160.4 ± 0.4 ų
• Cell temperature: 234 K
• Ambient diffraction temperature: 234 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: 0.1066
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No