Information card for entry 4128216

Structure parameters

• Formula: C27 H49 N5 O8 Si2
• Calculated formula: C27 H49 N5 O8 Si2
• SMILES: [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@H](C(=O)OC(C)(C)C)N=N#N)O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1C(=O)NC(=O)C=C1
• Title of publication: Biosynthetic Origin of the Atypical Stereochemistry in the Thioheptose Core of Albomycin Nucleoside Antibiotics.
• Authors of publication: Ushimaru, Richiro; Liu, Hung-Wen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2211 - 2214
• a: 10.558 ± 0.004 Å
• b: 7.3823 ± 0.001 Å
• c: 22.505 ± 0.004 Å
• α: 90°
• β: 100.12 ± 0.02°
• γ: 90°
• Cell volume: 1726.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No