Information card for entry 1505643

Structure parameters

• Formula: C11 H12 F2 N2 O3
• Calculated formula: C11 H12 F2 N2 O3
• SMILES: FC1(F)C=C[C@@H](N2C(=O)NC(=O)C(=C2)C)[C@H]1CO
• Title of publication: Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides.
• Authors of publication: Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5437 - 5440
• a: 7.7456 ± 0.0005 Å
• b: 7.7456 ± 0.0005 Å
• c: 34.484 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1791.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No