Information card for entry 4514907

Structure parameters

• Formula: C24 H27 N3 O5
• Calculated formula: C24 H27 N3 O5
• SMILES: O1C(O[C@H]2O[C@@H]([C@H](OCc3ccccc3)[C@@H]12)[C@H](O)Cn1nnc(c1)c1ccccc1)(C)C
• Title of publication: Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.
• Authors of publication: Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.
• Journal of publication: ACS combinatorial science
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 389 - 399
• a: 5.4865 ± 0.0002 Å
• b: 19.6475 ± 0.0005 Å
• c: 20.5452 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2214.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No