Information card for entry 7237785

Structure parameters

• Chemical name: 1-2y
• Formula: C20 H21 N3 O3
• Calculated formula: C20 H21 N3 O3
• Title of publication: Construction of highly fluorescent N‒O seven-membered heterocycles via thermo-oxidation of oxazolidines
• Authors of publication: Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 8045
• a: 10.118 ± 0.002 Å
• b: 9.1993 ± 0.0018 Å
• c: 20.098 ± 0.004 Å
• α: 90°
• β: 100.49 ± 0.03°
• γ: 90°
• Cell volume: 1839.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.069
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No