Information card for entry 4030600

Structure parameters

• Common name: sy1ja686b
• Formula: C24 H35 N3 O2
• Calculated formula: C24 H35 N3 O2
• SMILES: c12ccccc1C(=N[C@H](C(=O)N2[C@@H](C(=O)NC1CCCCC1)CCC)C(C)C)C
• Title of publication: Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.
• Authors of publication: Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 3
• Pages of publication: 1533 - 1549
• a: 17.4169 ± 0.0007 Å
• b: 17.4169 ± 0.0007 Å
• c: 13.7581 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3614.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No