Information card for entry 7226535

Structure parameters

• Formula: C21 H21 N3 O3
• Calculated formula: C21 H21 N3 O3
• SMILES: N1c2ccccc2NC2=C(C1c1ccc(N(=O)=O)cc1)C(=O)CC(C2)(C)C
• Title of publication: A practical carbocatalysis by Graphene Oxide nanosheets in aqueous medium towards the synthesis of diversified dibenzo[1,4]diazepine scaffold
• Authors of publication: Das, Asish R.; Kausar, Nazia; Mukherjee, Prasun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.6617 ± 0.0017 Å
• b: 11.7716 ± 0.0017 Å
• c: 13.3406 ± 0.0019 Å
• α: 90°
• β: 96.674 ± 0.005°
• γ: 90°
• Cell volume: 1818.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No