Information card for entry 7062436

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• Title of publication: Synthesis of 1,4-benzoxazine derivatives from α-aminocarbonyls under transition-metal-free conditions
• Authors of publication: Hao, Liqiang; Wu, Gaorong; Wang, Yangyang; Xu, Xiaobo; Ji, Yafei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 9527 - 9531
• a: 6.0236 ± 0.0004 Å
• b: 9.6327 ± 0.0007 Å
• c: 17.0316 ± 0.0012 Å
• α: 79.749 ± 0.003°
• β: 89.873 ± 0.003°
• γ: 74.604 ± 0.003°
• Cell volume: 936.5 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No