Information card for entry 7236914

Structure parameters

• Formula: C63 H46 Cl2 N8
• Calculated formula: C63 H46 Cl2 N8
• Title of publication: Hydrogen bonding-assisted loosely packed crystals of a diaminomaleonitrile-modified tetraphenylethene compound and their photo- and mechano-responsive properties
• Authors of publication: Huang, Qiuyi; Yu, Tao; Xie, Zongliang; Li, Wenlang; Wang, Leyu; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 11867
• a: 10.5762 ± 0.0004 Å
• b: 13.3993 ± 0.0004 Å
• c: 21.7435 ± 0.0006 Å
• α: 97.986 ± 0.003°
• β: 100.725 ± 0.003°
• γ: 112.276 ± 0.003°
• Cell volume: 2726.21 ± 0.18 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: 0.0951
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0505
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No