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Information card for entry 4003044
Preview
| Coordinates | 4003044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H22 N2 O2 |
|---|---|
| Calculated formula | C25 H22 N2 O2 |
| SMILES | n1(c2c(c3c1cccc3)cccc2)CCCCCN1C(=O)c2c(C1=O)cccc2 |
| Title of publication | Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications |
| Authors of publication | Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5584 |
| a | 16.813 ± 0.003 Å |
| b | 7.4763 ± 0.0015 Å |
| c | 31.999 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4022.2 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1006 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4003044.cif |
| 255805 | 2020-09-02 | cif/4 Fixing Z values and formulae |
4003044.cif |
| 220463 | 2019-10-29 | cif/ Adding structures of 4003044 via cif-deposit CGI script. |
4003044.cif |
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Users of the data should acknowledge the original authors of the
structural data.