Information card for entry 7229522

Structure parameters

• Formula: C17 H23 N O2
• Calculated formula: C17 H23 N O2
• 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: 8.1907 ± 0.0005 Å
• b: 24.8299 ± 0.0016 Å
• c: 7.3077 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.2 ± 0.17 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 301.83 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No