Information card for entry 4021755

Structure parameters

• Formula: C30 H29 F N2 O4
• Calculated formula: C30 H29 F N2 O4
• SMILES: Fc1n([C@H]2O[C@@H]([C@H]3OC(O[C@@H]23)(C)C)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cnc1
• Title of publication: Regio- and Stereoselective Glycosylation: Synthesis of 5-Haloimidazole α-Ribonucleosides
• Authors of publication: Tilak Chandra; Xiang Zou; Edward J. Valente; Kenneth L. Brown
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 5000 - 5003
• a: 8.2594 ± 0.0004 Å
• b: 14.7704 ± 0.0008 Å
• c: 20.8394 ± 0.0009 Å
• α: 90.058 ± 0.004°
• β: 89.99 ± 0.004°
• γ: 89.935 ± 0.004°
• Cell volume: 2542.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No