Information card for entry 4123307

Structure parameters

• Formula: C27 H27 N3 O3
• Calculated formula: C27 H27 N3 O3
• Title of publication: Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.
• Authors of publication: Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 931 - 939
• a: 24.174 ± 0.011 Å
• b: 10.013 ± 0.005 Å
• c: 19.969 ± 0.009 Å
• α: 90°
• β: 100.132 ± 0.019°
• γ: 90°
• Cell volume: 4758 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No