Information card for entry 2008556

Structure parameters

• Chemical name: 2^'^,3^'^,5^'^-Tri-O-Benzoylinosine
• Formula: C31 H24 N4 O8
• Calculated formula: C31 H24 N4 O8
• SMILES: [nH]1cnc2c(c1=O)ncn2[C@H]1[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O1)COC(=O)c1ccccc1
• Title of publication: 2',3',5'-Tri-<i>O</i>-benzoylinosine
• Authors of publication: S.Kolappan; T. Parthasarathy Seshadri
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 986 - 987
• a: 9.849 ± 0.002 Å
• b: 10.8 ± 0.002 Å
• c: 25.682 ± 0.003 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2731.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.691
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes