Information card for entry 4027287

Structure parameters

• Formula: C26 H28 N2 O6
• Calculated formula: C26 H28 N2 O6
• SMILES: [C@@H]1([C@@H]([C@]2(CC[C@H]([C@H]2O1)OCc1ccccc1)OCc1ccccc1)O)N1C=C(C(=O)NC1=O)C
• Title of publication: Synthesis and Pairing Properties of Oligodeoxynucleotides Containing Bicyclo-RNA and Bicyclo-ANA Modifications
• Authors of publication: Arben I. Haziri; Christian J. Leumann
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5861 - 5869
• a: 13.6243 ± 0.0001 Å
• b: 10.1431 ± 0.0001 Å
• c: 16.1047 ± 0.0001 Å
• α: 90°
• β: 90.032 ± 0.001°
• γ: 90°
• Cell volume: 2225.55 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No