Information card for entry 7151107

Structure parameters

• Common name: (Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'- cyclic N-benzylphosphoramidate
• Chemical name: (Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'-cyclic N- benzylphosphoramidate
• Formula: C27 H35 N6 O6 P Si
• Calculated formula: C27 H35 N6 O6 P Si
• SMILES: [Si](O[C@H]1[C@@H](O[C@H]2[C@H]1O[P@@](=O)(OC2)NCc1ccccc1)n1c2ncnc(N)c2nc1c1occc1)(C)(C)C(C)(C)C
• Title of publication: Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.
• Authors of publication: Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 13
• Pages of publication: 2070 - 2080
• a: 10.8533 ± 0.0005 Å
• b: 13.3879 ± 0.0006 Å
• c: 20.9242 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3040.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0416
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No