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Information card for entry 7029454
Preview
| Coordinates | 7029454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 N2 O2 |
|---|---|
| Calculated formula | C17 H20 N2 O2 |
| SMILES | O=c1cc(N(CC)CC)ccc1=CNc1c(O)cccc1 |
| Title of publication | A remarkable effect of N,N-diethylamino functionality on the optoelectronic properties of a salicylimine-based probe for Al(3+). |
| Authors of publication | Neeraj,; Kumar, Ajit; Kumar, Virendra; Prajapati, Rahul; Asthana, Sharad Kumar; Upadhyay, K. K.; Zhao, Jianzhang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 15 |
| Pages of publication | 5831 - 5839 |
| a | 11.7339 ± 0.0007 Å |
| b | 12.1454 ± 0.0007 Å |
| c | 17.3108 ± 0.0009 Å |
| α | 97.141 ± 0.004° |
| β | 105.326 ± 0.005° |
| γ | 101.489 ± 0.005° |
| Cell volume | 2290.4 ± 0.2 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180000 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94. |
7029454.cif |
| 124221 | 2014-09-25 | cif/7 Fixing Z values and formulae for several entries. |
7029454.cif |
| 112888 | 2014-05-06 | cif/ Updating files of 7029454, 7029455, 7029456 Original log message: Adding full bibliography for 7029454--7029456.cif. |
7029454.cif |
| 108308 | 2014-03-30 | cif/ Adding structures of 7029454, 7029455, 7029456 via cif-deposit CGI script. |
7029454.cif |
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Users of the data should acknowledge the original authors of the
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