Information card for entry 1514205

Structure parameters

• Formula: C24 H32 O5
• Calculated formula: C24 H32 O5
• SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1OC(=O)[C@@]3(OC(=O)CC3)[C@H]21)C)C
• Title of publication: Highly efficient and scalable synthesis of clionamine d.
• Authors of publication: Wang, Sha-Sha; Shi, Yong; Tian, Wei-Sheng
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 2177 - 2179
• a: 6.4163 ± 0.0009 Å
• b: 14.742 ± 0.002 Å
• c: 21.517 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2035.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0898
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No