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Information card for entry 7152884
Preview
| Coordinates | 7152884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H35 F12 N5 O P2 |
|---|---|
| Calculated formula | C36 H35 F12 N5 O P2 |
| SMILES | c1ccc2c3c1Cn1c4c(cccc4)[n+](CCCCn4c[n+](Cc5c(c(c2)ccc5)n3)c2ccccc42)c1.C(=O)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity. |
| Authors of publication | Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 20 |
| Pages of publication | 3375 - 3381 |
| a | 10.958 ± 0.013 Å |
| b | 11.539 ± 0.013 Å |
| c | 16.667 ± 0.019 Å |
| α | 75.826 ± 0.013° |
| β | 82.501 ± 0.013° |
| γ | 65.07 ± 0.012° |
| Cell volume | 1852 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0877 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.2161 |
| Weighted residual factors for all reflections included in the refinement | 0.2335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152884.cif |
| 181910 | 2016-04-06 | cif/7 Fixing Z values and formulae |
7152884.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7152884.cif |
| 86210 | 2013-05-09 | cif/ Adding structures of 7152884, 7152885, 7152886, 7152887 via cif-deposit CGI script. |
7152884.cif |
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Users of the data should acknowledge the original authors of the
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