Information card for entry 2008438

Structure parameters

• Chemical name: N^3^,2',3'-Tri-O-Benzoyluridine
• Formula: C30 H24 N2 O9
• Calculated formula: C30 H24 N2 O9
• SMILES: N1(C(=O)N(C(=O)C=C1)C(=O)c1ccccc1)[C@H]1[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O1)CO
• Title of publication: <i>N</i>^3^-Benzoyl-2',3'-di-<i>O</i>-benzoyluridine
• Authors of publication: S. Kolappan; T. P. Seshadri
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 604 - 606
• a: 14.202 ± 0.002 Å
• b: 5.737 ± 0.003 Å
• c: 33.319 ± 0.005 Å
• α: 90 ± 0.02°
• β: 92.93 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 2711.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.1174
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes