Information card for entry 4122695

Structure parameters

• Formula: C35 H30 N O7 Si
• Calculated formula: C43 H65 N O7 Si
• SMILES: [Si](C1=CN(C(=O)O[C@H]2[C@@H](CCCC2)C(C)(C)c2ccccc2)[C@@H](CC1=O)CC1=C(CCC2(OCCO2)C1(C)C)C(=O)OC)(C(C)C)(C(C)C)C(C)C.[Si](C1=CN(C(=O)O[C@@H]2[C@H](CCCC2)C(C)(C)c2ccccc2)[C@H](CC1=O)CC1=C(CCC2(OCCO2)C1(C)C)C(=O)OC)(C(C)C)(C(C)C)C(C)C
• Title of publication: Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.
• Authors of publication: Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14184
• a: 9.149 ± 0.005 Å
• b: 12.298 ± 0.005 Å
• c: 19.169 ± 0.005 Å
• α: 74.475 ± 0.005°
• β: 89.769 ± 0.005°
• γ: 80.187 ± 0.005°
• Cell volume: 2045.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No