Information card for entry 4026513

Structure parameters

• Chemical name: 1β-(6-Bromopyridin-3-yl)-1,3,5-tri -O-(tert-butyldimethylsilyl)-D-ribofuranose
• Formula: C28 H54 Br N O5 Si3
• Calculated formula: C28 H54 Br N O5 Si3
• SMILES: [C@]1([C@@H]([C@@H]([C@@H](CO[Si](C(C)(C)C)(C)C)O1)O[Si](C(C)(C)C)(C)C)O)(c1cnc(cc1)Br)O[Si](C(C)(C)C)(C)C
• Title of publication: General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups
• Authors of publication: Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 6619 - 6635
• a: 8.32986 ± 0.0001 Å
• b: 11.95103 ± 0.00015 Å
• c: 35.3621 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3520.31 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9277
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No