Information card for entry 4034715

Structure parameters

• Formula: C22 H31 N5 O3 Si
• Calculated formula: C21.5 H28.5 N5 O3 Si
• SMILES: [Si]([C@](O)(CO)CCn1c2nc(N)nc(OCc3ccccc3)c2nc1)(CC)(CC)CC
• Title of publication: Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.
• Authors of publication: Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15512 - 15523
• a: 23.3389 ± 0.0003 Å
• b: 15.1799 ± 0.0002 Å
• c: 42.3532 ± 0.0006 Å
• α: 90°
• β: 102.714 ± 0.002°
• γ: 90°
• Cell volume: 14637.1 ± 0.4 ų
• Cell temperature: 298.3 ± 1 K
• Ambient diffraction temperature: 298.3 ± 1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.3009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No