Information card for entry 7229147

Structure parameters

• Formula: C33 H23 N
• Calculated formula: C33 H23 N
• SMILES: c1(c2ccc(cc2)C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc(C#N)ccc1
• Title of publication: Cyanobenzene-containing tetraphenylethene derivatives with aggregation-induced emission and self-recovering mechanofluorochromic characteristics
• Authors of publication: Zhao, Fei; Fan, Congbin; Chen, Zhao; Liu, Gang; Pu, Shouzhi
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 69
• Pages of publication: 43845
• a: 10.5396 ± 0.0017 Å
• b: 10.8992 ± 0.0017 Å
• c: 11.6905 ± 0.0018 Å
• α: 75.586 ± 0.002°
• β: 72.924 ± 0.002°
• γ: 75.975 ± 0.002°
• Cell volume: 1222.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No