Information card for entry 7237787

Structure parameters

• Formula: C21 H22 I N O2
• Calculated formula: C21 H22 I N O2
• 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: 9.4276 ± 0.0005 Å
• b: 10.1879 ± 0.0005 Å
• c: 11.1539 ± 0.0006 Å
• α: 111.641 ± 0.001°
• β: 97.79 ± 0.002°
• γ: 99.874 ± 0.002°
• Cell volume: 957.65 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No