Information card for entry 4123308

Structure parameters

• Formula: C25 H21 N3 O5
• Calculated formula: C25 H21 N3 O5
• SMILES: c12ccccc1C(C)(C)C1(/C=C/c3ccc(cc3)N(=O)=O)N2Cc2c(ccc(c2)N(=O)=O)O1
• 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: 14.314 ± 0.003 Å
• b: 13.075 ± 0.003 Å
• c: 12.034 ± 0.002 Å
• α: 90°
• β: 109.95 ± 0.03°
• γ: 90°
• Cell volume: 2117.1 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No