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Information card for entry 1518412
Preview
| Coordinates | 1518412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518412.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518412.cif |
| 133115 | 2015-03-06 | cif/ Updating files of 1518409, 1518410, 1518411, 1518412 Original log message: Adding full bibliography for 1518409--1518412.cif. |
1518412.cif |
| 128531 | 2014-12-12 | cif/ Adding structures of 1518409, 1518410, 1518411, 1518412 via cif-deposit CGI script. |
1518412.cif |
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