Information card for entry 7237962

Structure parameters

• Formula: C37 H30 N4
• Calculated formula: C37 H30 N4
• Title of publication: Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives
• Authors of publication: Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 40
• Pages of publication: 12580
• a: 8.1615 ± 0.0002 Å
• b: 33.9887 ± 0.0012 Å
• c: 10.2333 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2838.7 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No