Information card for entry 7225517

Structure parameters

• Formula: C27 H19 N3 O2
• Calculated formula: C27 H19 N3 O2
• SMILES: N(c1ccccc1)(c1ccc(/C=C(c2ccc(N(=O)=O)cc2)\C#N)cc1)c1ccccc1
• Title of publication: Branched Triphenylamine-cored Compounds: Aggregation Induced Two-photon Absorption
• Authors of publication: Zhang, Xin; Gan, Xiaoping; Yao, Shun; Zhu, Weiju; Yu, Jianhua; Wu, Zhichao; zhou, Hongping; Tian, Yupeng; Wu, Jieying
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.165 ± 0.005 Å
• b: 7.545 ± 0.005 Å
• c: 25.708 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.505 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2151.7 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No