Information card for entry 7123552

Structure parameters

• Common name: 5bd-dark
• Formula: C24 H22 F4 N2 O
• Calculated formula: C24 H22 F4 N2 O
• Title of publication: Photo-accelerated “Click” Reaction between Diarylsydnone and Ring-strained Alkyne for Bioorthogonal Ligation
• Authors of publication: Zhang, Xiaocui; Wu, Xueting; Jiang, Shichao; Gao, Jingshuo; Yao, Zhuojun; Deng, Jiajie; Zhang, Linmeng; Yu, Zhipeng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.7422 ± 0.0004 Å
• b: 8.6225 ± 0.0004 Å
• c: 22.5087 ± 0.0013 Å
• α: 93.263 ± 0.004°
• β: 95.198 ± 0.005°
• γ: 106.43 ± 0.005°
• Cell volume: 1060.57 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.116
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No