Information card for entry 7155090

Structure parameters

• Common name: triazolyl
• Chemical name: triazolyl
• Formula: C13 H14 N4 O5
• Calculated formula: C13 H14 N4 O5
• SMILES: n1nc(cn1[C@@H]1O[C@H](CO)[C@@H](O)C1)c1ccc(N(=O)=O)cc1
• Title of publication: Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.
• Authors of publication: Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5088 - 5108
• a: 6.4456 ± 0.0007 Å
• b: 9.8102 ± 0.0008 Å
• c: 21.821 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1379.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No