Information card for entry 7245056

Structure parameters

• Common name: cp2
• Formula: C13 H11 N O
• Calculated formula: C13 H11 N O
• Title of publication: Visible-light-promoted and chlorophyll-catalyzed aerobic desulfurization of thioamides to amides
• Authors of publication: Yang, Zihui; Zhou, Haoyi; Wang, Lin; Zhang, Jingxuan; Xie, Hongqi; Liu, Yisong; Zeng, Jianguo; Cheng, Pi
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 27
• Pages of publication: 17190 - 17193
• a: 5.3315 ± 0.0006 Å
• b: 7.7796 ± 0.0008 Å
• c: 12.4238 ± 0.0014 Å
• α: 72.694 ± 0.006°
• β: 78.711 ± 0.005°
• γ: 89.961 ± 0.005°
• Cell volume: 481.54 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.37
• Weighted residual factors for all reflections included in the refinement: 0.395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.833
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No