Information card for entry 1504026

Structure parameters

• Formula: C19 H25 N3 O3
• Calculated formula: C19.0033 H25 N3 O3
• Title of publication: A novel one-pot three-(in situ five-)component condensation reaction: an unexpected approach for the synthesis of tetrahydro-2,4-dioxo-1H-benzo[b][1,5]diazepine-3-yl-2-methylpropanamide derivatives.
• Authors of publication: Shaabani, Ahmad; Rezayan, Ali Hossein; Keshipour, Sajjad; Sarvary, Afshin; Ng, Seik Weng
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3342 - 3345
• a: 11.4263 ± 0.0002 Å
• b: 18.5145 ± 0.0003 Å
• c: 26.0098 ± 0.0004 Å
• α: 90°
• β: 93.217 ± 0.001°
• γ: 90°
• Cell volume: 5493.76 ± 0.16 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No