Information card for entry 4107657

Structure parameters

• Formula: C12 H17 N3 O6
• Calculated formula: C12 H17 N3 O6
• SMILES: O1N(C[C@@]2(O[C@@H](N3C(=O)NC(=O)C(=C3)C)[C@H]1[C@@H]2O)CO)C
• Title of publication: Design, Synthesis, and Properties of 2',4'-BNANC: A Bridged Nucleic Acid Analogue
• Authors of publication: S. M. Abdur Rahman; Sayori Seki; Satoshi Obika; Haruhisa Yoshikawa; Kazuyuki Miyashita; Takeshi Imanishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4886 - 4896
• a: 8.721 ± 0.004 Å
• b: 10.414 ± 0.004 Å
• c: 13.992 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1270.8 ± 0.9 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No