Information card for entry 4029959

Structure parameters

• Formula: C29 H45 N O5 S Si
• Calculated formula: C29 H45 N O5 S Si
• SMILES: [C@]1(C[C@H](C[C@@H](CC[C@@H](C#C)C)O1)O[Si](C)(C)C(C)(C)C)([C@H]1CSC(=O)N1Cc1ccc(cc1)OC)OC
• Title of publication: Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.
• Authors of publication: Williams, Brett D.; Smith, 3rd, Amos B
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 19
• Pages of publication: 9284 - 9296
• a: 7.9222 ± 0.0004 Å
• b: 9.853 ± 0.0004 Å
• c: 20.0514 ± 0.001 Å
• α: 90°
• β: 92.404 ± 0.002°
• γ: 90°
• Cell volume: 1563.78 ± 0.13 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No