Information card for entry 4132264

Structure parameters

• Formula: C27 H40 O7
• Calculated formula: C27 H40 O7
• SMILES: O(C)C(OC)[C@H]([C@@H]1[C@@]2([C@H]([C@]3(O)C[C@@H](COC(=O)C)[C@@H]4C[C@H]5O[C@@H]4C([C@H]3CC2)=CC5=O)CC1)C)C
• 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: 11.3308 ± 0.0002 Å
• b: 11.3308 ± 0.0002 Å
• c: 34.3551 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3819.82 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No