Information card for entry 1562179

Structure parameters

• Formula: C78 H43 F48 O8
• Calculated formula: C78 H43 F48 O8
• Title of publication: Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.
• Authors of publication: Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 7575 - 7582
• a: 10.533 ± 0.0001 Å
• b: 32.5011 ± 0.0002 Å
• c: 12.4209 ± 0.0001 Å
• α: 90°
• β: 111.317 ± 0.001°
• γ: 90°
• Cell volume: 3961.18 ± 0.06 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 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: 0.046
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No