Information card for entry 1512589

Structure parameters

• Formula: C35 H51 N3 O12 Si2
• Calculated formula: C35 H51 N3 O12 Si2
• SMILES: [Si](OC[C@@H](O[Si](C)(C(C)(C)C)C)[C@@H]1NC(=O)O[C@H]([C@H]1OC(=O)c1ccc(N(=O)=O)cc1)[C@H](COC(=O)c1ccc(N(=O)=O)cc1)C)(C(C)(C)C)(C)C
• Title of publication: Tethered Aminohydroxylation: Synthesis of the β-Amino Acid of Microsclerodermins A and B.
• Authors of publication: Pullin, Robert D. C.; Rathi, Akshat H.; Melikhova, Ekaterina Y.; Winter, Christian; Thompson, Amber L.; Donohoe, Timothy J.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 5492 - 5495
• a: 23.9112 ± 0.0012 Å
• b: 6.492 ± 0.0009 Å
• c: 26.346 ± 0.002 Å
• α: 90°
• β: 95.462 ± 0.006°
• γ: 90°
• Cell volume: 4071.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections: 0.2229
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0137
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No