Information card for entry 4022633

Structure parameters

• Formula: C10 H12 Br F2 N3 O3
• Calculated formula: C10 H12 Br F2 N3 O3
• SMILES: [Br-].C1(=O)N(C=CC(N1)=[NH2+])[C@H]1C[C@H]2[C@](CO)(C2(F)F)O1
• Title of publication: Addition of Difluorocarbene to 3',4'-Unsaturated Nucleosides: Synthesis of 2'-Deoxy Analogues with a 2-Oxabicyclo[3.1.0]hexane Framework
• Authors of publication: Ireneusz Nowak; John F. Cannon; Morris J. Robins
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 532 - 537
• a: 6.4528 ± 0.0005 Å
• b: 9.5514 ± 0.0007 Å
• c: 20.5093 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1264.06 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No