Information card for entry 1565321

Structure parameters

• Formula: C21 H11 F6 N
• Calculated formula: C21 H11 F6 N
• Title of publication: Programmable photoresponsive materials based on a single molecule via distinct topochemical reactions
• Authors of publication: Wei, Xiao; Li, Bao; Yang, Zhiqiang; Zhong, RongLin; Wang, Yufei; Chen, yanan; Ding, Zeyang; Men, Guangwen; Yang, Zairan; Zhang, Houyu; Yang, Bing; Xu, Weiqing; Jiang, Shimei
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.4375 ± 0.0003 Å
• b: 15.1706 ± 0.0007 Å
• c: 13.3563 ± 0.0006 Å
• α: 90°
• β: 96.315 ± 0.002°
• γ: 90°
• Cell volume: 1699.26 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No