Information card for entry 1518411

Structure parameters

• Chemical name: TPP-2PM
• Formula: C42 H32 N2 O2
• Calculated formula: C42 H32 N2 O2
• SMILES: O(c1ccc(c2ccc(c3nc(c(nc3c3ccccc3)c3ccccc3)c3ccc(cc3)c3ccc(OC)cc3)cc2)cc1)C
• Title of publication: Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission
• Authors of publication: Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1932
• a: 11.1806 ± 0.0008 Å
• b: 11.4458 ± 0.0007 Å
• c: 12.861 ± 0.0009 Å
• α: 101.527 ± 0.006°
• β: 91.283 ± 0.006°
• γ: 99.274 ± 0.006°
• Cell volume: 1589.02 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1027
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No