Information card for entry 2007567

Structure parameters

• Formula: C21 H23 N3 O7
• Calculated formula: C21 H23 N3 O7
• SMILES: O(Cn1c(=O)nc(cc1)NC(=O)c1ccccc1)[C@@]12CCO[C@@H](C[C@H]1OC(=O)C)[C@H]2O
• Title of publication: (1'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>S</i>)-1-[(6'-Acetoxy-8'-hydroxy-2'-oxabicyclo[3.2.1]oct-5'-yl)oxymethyl]-<i>N</i>^4^-benzoylcytosine
• Authors of publication: Carl Epple; Christian Leumann; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1141 - 1143
• a: 10.564 ± 0.005 Å
• b: 6.268 ± 0.002 Å
• c: 15.878 ± 0.006 Å
• α: 90°
• β: 107.94 ± 0.02°
• γ: 90°
• Cell volume: 1000.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No