Information card for entry 7126531

Structure parameters

• Formula: C31 H23 N O3
• Calculated formula: C31 H23 N O3
• SMILES: O1[C@]2(N(c3ccccc3[C@H](C2)c2c(=O)oc3ccccc3c12)Cc1ccccc1)c1ccccc1.O1[C@@]2(N(c3ccccc3[C@@H](C2)c2c(=O)oc3ccccc3c12)Cc1ccccc1)c1ccccc1
• Title of publication: Visible-light driven synthesis of polycyclic benzo[d][1,3]oxazocine from 2-aminochalcone.
• Authors of publication: Gao, Yu-Qi; Hou, Yi; Zhu, Liming; Chen, Junhan; Li, Ruoxin; Zhang, Sheng-Yong; He, Yu-Peng; Xie, Weiqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 49
• Pages of publication: 6739 - 6742
• a: 14.9496 ± 0.0003 Å
• b: 9.5237 ± 0.0002 Å
• c: 17.43 ± 0.0004 Å
• α: 90°
• β: 111.831 ± 0.001°
• γ: 90°
• Cell volume: 2303.64 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No