Information card for entry 1518412

Structure parameters

• Chemical name: TPP-4M
• Formula: C32 H28 N2 O4
• Calculated formula: C32 H28 N2 O4
• SMILES: O(c1ccc(c2nc(c(nc2c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)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: 9.768 ± 0.0011 Å
• b: 12.3063 ± 0.0014 Å
• c: 12.4687 ± 0.0014 Å
• α: 68.542 ± 0.011°
• β: 70.492 ± 0.01°
• γ: 88.089 ± 0.009°
• Cell volume: 1308.1 ± 0.3 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: 0.1215
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No