Information card for entry 2218005

Structure parameters

• Chemical name: (±)-1-{8'-(<i>tert</i>-Butyldiphenylsilyloxymethyl)-1',7'- dioxaspiro[5.5]undecan-2'-yl}uridine
• Formula: C30 H38 N2 O5 Si
• Calculated formula: C30 H38 N2 O5 Si
• SMILES: [Si](OC[C@H]1O[C@]2(O[C@H](N3C(=O)NC(=O)C=C3)CCC2)CCC1)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](OC[C@@H]1O[C@@]2(O[C@@H](N3C(=O)NC(=O)C=C3)CCC2)CCC1)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: (±)-1-{8'-(<i>tert</i>-Butyldiphenylsilyloxymethyl)-1',7'-dioxaspiro[5.5]undecan-2'-yl}uridine
• Authors of publication: Choi, Ka Wai; Brimble, Margaret A.; Groutso, Tania
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o715
• a: 14.796 ± 0.0002 Å
• b: 12.5092 ± 0.0002 Å
• c: 15.0935 ± 0.0001 Å
• α: 90°
• β: 99.42 ± 0.001°
• γ: 90°
• Cell volume: 2755.93 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes