Information card for entry 7243482

Structure parameters

• Formula: C22 H14 Cl N O4
• Calculated formula: C22 H14 Cl N O4
• SMILES: Clc1ccc(C(=O)C(ON2C(=O)c3c(C2=O)cccc3)c2ccccc2)cc1
• Title of publication: Synthesis of N-alkoxyphthalimide derivatives via PIDA-promoted cross dehydrogenative coupling reaction
• Authors of publication: Chen, Rongxiang; Liu, Bing; Li, Wenbo; Wang, Kai-Kai; Miao, Changqing; Li, Zhizhuang; Lv, Yingjie; Liu, Lantao
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 8051 - 8054
• a: 20.415 ± 0.003 Å
• b: 5.9806 ± 0.0008 Å
• c: 15.39 ± 0.002 Å
• α: 90°
• β: 105.234 ± 0.002°
• γ: 90°
• Cell volume: 1813 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No