Information card for entry 4025171

Structure parameters

• Formula: C30 H55 Br2 N O6 Si3
• Calculated formula: C30 H55 Br2 N O6 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[Si](C(C)(C)C)(C)C)(OC(=O)C)c1cc(nc(c1)Br)Br
• Title of publication: A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6
• Authors of publication: Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 442 - 449
• a: 10.8289 ± 0.0009 Å
• b: 17.554 ± 0.0019 Å
• c: 21.7052 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4126 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0718
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1709
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No