Information card for entry 4513621

Structure parameters

• Formula: C26 H21 N3 O4
• Calculated formula: C26 H21 N3 O4
• SMILES: o1cccc1C1OCc2c(n3c1c1N(C(=O)N(C)C(=O)c1c3c1ccccc1)C)cccc2
• Title of publication: Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.
• Authors of publication: Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming
• Journal of publication: ACS combinatorial science
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 623 - 630
• a: 10.983 ± 0.003 Å
• b: 11.817 ± 0.003 Å
• c: 18.748 ± 0.006 Å
• α: 75.62 ± 0.006°
• β: 87.482 ± 0.007°
• γ: 64.662 ± 0.006°
• Cell volume: 2124.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No