Information card for entry 7150451

Structure parameters

• Formula: C32 H28 N8 O7
• Calculated formula: C32 H28 N8 O7
• SMILES: O=c1n(cc(c2n1nnn2)C)[C@@H]1OC([C@@H](OCc2ccccc2)[C@H]1N=N#N)(COC(=O)c1ccccc1)COC(=O)c1ccccc1
• Title of publication: Synthesis of 2'-amino-LNA: a new strategyElectronic supplementary information (ESI) available: further experimental details and the structure of compound S11 (.pdb file). See http://www.rsc.org/suppdata/ob/b2/b208864a/
• Authors of publication: Rosenbohm, Christoph; Christensen, Signe M.; Sørensen, Mads D.; Pedersen, Daniel Sejer; Larsen, Lotte-Emilie; Wengel, Jesper; Koch, Troels
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 655
• a: 7.688 ± 0.0002 Å
• b: 13.2934 ± 0.0003 Å
• c: 31.112 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3179.64 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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 all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No