Information card for entry 7213494

Structure parameters

• Formula: C12 H18 N2 O9
• Calculated formula: C12 H18 N2 O9
• SMILES: C1(=O)N(C=C(C(=O)N1)C)[C@H]1[C@@H]2[C@@]3([C@@H]([C@@H]([C@@H]([C@H]3O)O2)O)O1)O.O.O
• Title of publication: A conformationally locked tricyclic nucleoside. Synthesis, crystal structure and incorporation into oligonucleotides
• Authors of publication: Ravn, Jacob; Thorup, Niels; Nielsen, Poul
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1855
• a: 24.555 ± 0.003 Å
• b: 8.5576 ± 0.0011 Å
• c: 6.714 ± 0.0008 Å
• α: 90°
• β: 98.416 ± 0.01°
• γ: 90°
• Cell volume: 1395.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No