Information card for entry 1570173

Structure parameters

• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• Title of publication: Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.
• Authors of publication: Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 12598 - 12605
• a: 6.6884 ± 0.0001 Å
• b: 7.0394 ± 0.0002 Å
• c: 35.4914 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1671.02 ± 0.06 ų
• Cell temperature: 172.95 ± 0.13 K
• Ambient diffraction temperature: 172.95 ± 0.13 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: 0.0358
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No