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Information card for entry 7218715
Preview
| Coordinates | 7218715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers |
|---|---|
| Formula | C30 H23 N5 O |
| Calculated formula | C30 H23 N5 O |
| SMILES | N1(C(=O)/C(c2nc3ccccc3nc12)=C(/NCCc1ccccn1)c1ccccc1)c1ccccc1 |
| Title of publication | Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state |
| Authors of publication | Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 498 |
| a | 12.65632 ± 0.00009 Å |
| b | 19.63117 ± 0.00011 Å |
| c | 19.20284 ± 0.00011 Å |
| α | 90° |
| β | 97.3451 ± 0.0006° |
| γ | 90° |
| Cell volume | 4731.96 ± 0.05 Å3 |
| Cell temperature | 120.05 ± 0.1 K |
| Ambient diffraction temperature | 120.05 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180518 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87. |
7218715.cif |
| 133191 | 2015-03-06 | cif/ Updating files of 7218714, 7218715, 7218716 Original log message: Adding full bibliography for 7218714--7218716.cif. |
7218715.cif |
| 126649 | 2014-11-08 | cif/ Adding structures of 7218714, 7218715, 7218716 via cif-deposit CGI script. |
7218715.cif |
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