Information card for entry 4028383

Structure parameters

• Formula: C30 H32 N4 O3
• Calculated formula: C30 H32 N4 O3
• SMILES: N(C(=O)C(N(C(=O)CC=NNC(=O)c1ccccc1)c1ccccc1)c1ccccc1)C1CCCCC1
• Title of publication: Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides
• Authors of publication: Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6450 - 6456
• a: 17.2631 ± 0.0012 Å
• b: 35.327 ± 0.003 Å
• c: 8.9843 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5479.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No