Information card for entry 7129893

Structure parameters

• Formula: C27 H38 O4
• Calculated formula: C27 H38 O4
• Title of publication: A stereoselective hydride transfer reaction with contributions from attractive dispersion force control.
• Authors of publication: Braddock, D. Christopher; Limpaitoon, Natnicha; Oliwa, Krzysztof; O'Reilly, Daniel; Rzepa, Henry S.; White, Andrew J. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 10.1782 ± 0.0002 Å
• b: 12.5203 ± 0.0003 Å
• c: 19.0389 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.21 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No