Information card for entry 4125662

Structure parameters

• Formula: C23 H32 Cl2 O4
• Calculated formula: C23 H32 Cl2 O4
• SMILES: ClCCl.O=C1CCC([C@H]2C(=O)C[C@@]34[C@H]([C@]12C)CC1(OCCO1)[C@@H](C(=C)C3)C4)(C)C
• Title of publication: Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.
• Authors of publication: Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 2932 - 2935
• a: 7.4292 ± 0.0018 Å
• b: 12.851 ± 0.003 Å
• c: 23.312 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2225.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No