Information card for entry 4034714

Structure parameters

• Formula: C21 H19 N2 O5
• Calculated formula: C21 H19 N2 O5
• SMILES: O[C@](c1ccccc1)(CO)CN1C(=O)N(C(=O)C(=C1)C)C(=O)c1ccccc1
• 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: 5.8139 ± 0.0001 Å
• b: 13.3695 ± 0.0002 Å
• c: 12.326 ± 0.0001 Å
• α: 90°
• β: 91.911 ± 0.001°
• γ: 90°
• Cell volume: 957.55 ± 0.02 ų
• Cell temperature: 297.01 ± 0.1 K
• Ambient diffraction temperature: 297.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No