Information card for entry 7229526

Structure parameters

• Formula: C22 H25 N O2
• Calculated formula: C22 H25 N O2
• SMILES: [n+]1(c(cc(C2=C([O-])CC(CC2=O)(C)C)cc1C)C)Cc1ccccc1
• Title of publication: The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures
• Authors of publication: Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 81
• Pages of publication: 51444
• a: 8.6562 ± 0.0003 Å
• b: 9.306 ± 0.0003 Å
• c: 12.049 ± 0.0004 Å
• α: 83.1427 ± 0.001°
• β: 77.2334 ± 0.001°
• γ: 75.0473 ± 0.0011°
• Cell volume: 912.55 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No