Information card for entry 1514776

Structure parameters

• Formula: C38 H42 Cl2 N4 O7 S Si
• Calculated formula: C38 H42 Cl2 N4 O7 S Si
• SMILES: S(=O)(=O)(N1[C@H]2[C@@]3(c4ccccc14)[C@H](O[Si](c1n(c4c(c31)cccc4)C(=O)OC(C)(C)C)(CC)CC)[C@@H]1N2C(=O)CN(C1=O)C)c1ccccc1.C(Cl)Cl
• Title of publication: Concise Total Synthesis of (+)-Bionectins A and C.
• Authors of publication: Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3191 - 3197
• a: 9.7839 ± 0.0004 Å
• b: 16.5231 ± 0.0008 Å
• c: 24.2524 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3920.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No