Information card for entry 2010340

Structure parameters

• Formula: C20 H24 Cl3 N3 O6
• Calculated formula: C20 H24 Cl3 N3 O6
• SMILES: ClC(Cl)Cl.OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)Oc1c(C)cc(cc1C)NC(=O)C
• Title of publication: A deoxyuridine derivative
• Authors of publication: Bolte, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2045 - 2047
• a: 6.592 ± 0.001 Å
• b: 9.831 ± 0.001 Å
• c: 18.053 ± 0.001 Å
• α: 90°
• β: 97 ± 0.01°
• γ: 90°
• Cell volume: 1161.2 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 2.29
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No