Information card for entry 2236133

Structure parameters

• Chemical name: 3-{[1-(2,3,5-Tri-<i>O</i>-benzoyl-β-<i>D</i>-ribofuranos-1-yl)- 1<i>H</i>-1,2,3-triazol-4-yl]methyl}quinazolin-4(3<i>H</i>)-one
• Formula: C37 H29 N5 O8
• Calculated formula: C37 H29 N5 O8
• SMILES: O=c1c2ccccc2ncn1Cc1cn(nn1)[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
• Title of publication: 3-{[1-(2,3,5-Tri-<i>O</i>-benzoyl-β-<small>D</small>-ribofuranos-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl}quinazolin-4(3<i>H</i>)-one
• Authors of publication: Ouahrouch, Abdelaaziz; Taourirte, Moha; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3166
• a: 11.2646 ± 0.0002 Å
• b: 5.6471 ± 0.0001 Å
• c: 25.7507 ± 0.0004 Å
• α: 90°
• β: 99.595 ± 0.001°
• γ: 90°
• Cell volume: 1615.15 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes