Information card for entry 1506969

Structure parameters

• Formula: C10 H12 F2 N2 O3
• Calculated formula: C10 H12 F2 N2 O3
• SMILES: FC1(F)[C@@H](N2C(=O)NC(=O)C=C2)CC[C@@H]1CO.FC1(F)[C@H](N2C(=O)NC(=O)C=C2)CC[C@H]1CO
• Title of publication: Synthesis of 2',3'-dideoxy-6',6'-difluorocarbocyclic nucleosides.
• Authors of publication: Yang, Yan-Yan; Meng, Wei-Dong; Qing, Feng-Ling
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 4257 - 4259
• a: 6.1123 ± 0.001 Å
• b: 19.495 ± 0.003 Å
• c: 9.2417 ± 0.0016 Å
• α: 90°
• β: 107.676 ± 0.003°
• γ: 90°
• Cell volume: 1049.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No