Information card for entry 7118697

Structure parameters

• Formula: C49 H32 Cl2 N4
• Calculated formula: C48 H30 N4
• SMILES: c1cccc2c1c1ccccc1n2c1ccc(cc1)/C=C(C#N)/c1ccc(C(=C\c2ccc(n3c4ccccc4c4ccccc34)cc2)\C#N)cc1
• Title of publication: Unique piezochromic fluorescence behavior of organic crystal of carbazole-substituted CNDSB.
• Authors of publication: Feng, Cunfang; Wang, Kai; Xu, Yuanxiang; Liu, Liqun; Zou, Bo; Lu, Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 19
• Pages of publication: 3836 - 3839
• a: 30.549 Å
• b: 30.549 Å
• c: 11.026 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8911.33 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No