Information card for entry 7062236

Structure parameters

• Formula: C37 H36 Br N7 O4
• Calculated formula: C37 H34 Br N7 O4
• SMILES: Brc1cc(C(N(C(=O)c2cc3nccnc3cc2)c2ccccc2)C(=O)NC(C)(C)C)c(OCc2nnn(c2)Cc2ccccc2)cc1.O
• Title of publication: Sustainable synthesis of structures containing quinoxaline-pseudopeptide-triazole pharmacophores via a one-pot six-component reaction
• Authors of publication: Farhid, Hassan; Araghi, Hanieh Mohammadi; Shaabani, Ahmad; Notash, Behrouz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 3234 - 3241
• a: 8.7966 ± 0.0018 Å
• b: 14.281 ± 0.003 Å
• c: 15.932 ± 0.003 Å
• α: 110.62 ± 0.03°
• β: 90.92 ± 0.03°
• γ: 106.07 ± 0.03°
• Cell volume: 1785.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2891
• Residual factor for significantly intense reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.2821
• Weighted residual factors for all reflections included in the refinement: 0.3548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No