Information card for entry 2007423

Structure parameters

• Common name: (±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine
• Chemical name: (±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine
• Formula: C10 H15 N3 O5
• Calculated formula: C10 H15 N3 O5
• SMILES: n12c(=O)nc(N)cc1O[C@H]1[C@@H]2C[C@H](O)[C@H]1CO.O.n12c(=O)nc(N)cc1O[C@@H]1[C@H]2C[C@@H](O)[C@@H]1CO.O
• Title of publication: A (±)-Cyclocytidine Analogue with a Low-<i>anti</i> Conformation around the Glycosyl Bond
• Authors of publication: Ohishi, Hirofumi; Urata, Hidehito; Akagi, Masao; Tomita, Ken-ichi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 980 - 982
• a: 6.87 ± 0.002 Å
• b: 20.711 ± 0.002 Å
• c: 8.526 ± 0.001 Å
• α: 90°
• β: 100.69 ± 0.01°
• γ: 90°
• Cell volume: 1192.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.134
• Goodness-of-fit parameter for all reflections: 2.098
• Goodness-of-fit parameter for significantly intense reflections: 2.259
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No