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Information card for entry 7218716
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| Coordinates | 7218716.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; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172 |
|---|---|
| Formula | C30 H24.32 N5 O1.66 |
| Calculated formula | C30 H24.322 N5 O1.661 |
| 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 | 5.75094 ± 0.00003 Å |
| b | 17.80093 ± 0.00008 Å |
| c | 11.63481 ± 0.00006 Å |
| α | 90° |
| β | 98.7275 ± 0.0005° |
| γ | 90° |
| Cell volume | 1177.29 ± 0.01 Å3 |
| Cell temperature | 119.9 ± 0.2 K |
| Ambient diffraction temperature | 119.9 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0366 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7218716.cif |
| 133191 | 2015-03-06 | cif/ Updating files of 7218714, 7218715, 7218716 Original log message: Adding full bibliography for 7218714--7218716.cif. |
7218716.cif |
| 126649 | 2014-11-08 | cif/ Adding structures of 7218714, 7218715, 7218716 via cif-deposit CGI script. |
7218716.cif |
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