Information card for entry 1565319

Structure parameters

• Formula: C42 H22 F12 N2
• Calculated formula: C42 H22 F12 N2
• 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: 16.3007 ± 0.0012 Å
• b: 18.4842 ± 0.0013 Å
• c: 12.5889 ± 0.0009 Å
• α: 90°
• β: 109.832 ± 0.003°
• γ: 90°
• Cell volume: 3568.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No