Information card for entry 1543898

Structure parameters

• Formula: C18 H17 Cl N2 O5
• Calculated formula: C18 H17 Cl N2 O5
• SMILES: Clc1ccc(cc1)C(=O)N1C(=O)N(C=C(C1=O)C)[C@@H]1C[C@H]1C(=O)OCC
• Title of publication: Enantioselective Intermolecular Cyclopropanations for the Synthesis of Chiral Pyrimidine Carbocyclic Nucleosides
• Authors of publication: Xie, Ming-Sheng; Zhou, Peng; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming
• Journal of publication: Organic Letters
• Year of publication: 2016
• a: 5.0868 ± 0.001 Å
• b: 11.793 ± 0.002 Å
• c: 30.515 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1830.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1122
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No