Information card for entry 4132265

Structure parameters

• Formula: C24 H38 O5
• Calculated formula: C24 H38 O5
• SMILES: O[C@@H]1[C@H]2O[C@@H]3[C@H](C2)CC[C@]2(O)[C@@H](C3=C1)CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)C(OC)OC
• Title of publication: Asymmetric Total Synthesis of Cyclocitrinol.
• Authors of publication: Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 16
• Pages of publication: 5365 - 5369
• a: 6.4359 ± 0.0002 Å
• b: 25.5852 ± 0.0006 Å
• c: 7.0724 ± 0.0002 Å
• α: 90°
• β: 107.905 ± 0.0012°
• γ: 90°
• Cell volume: 1108.17 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No