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Information card for entry 7015868
Preview
| Coordinates | 7015868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C28 H30 N4 O2 S |
|---|---|
| Calculated formula | C28 H30 N4 O2 S |
| SMILES | n1ccccc1CCN=C1C(=Cc2c(O1)cc(N(CC)CC)cc2)c1sc2ccccc2n1.OC |
| Title of publication | Selective colorimetric and fluorometric sensing of Cu(ii) by iminocoumarin derivative in aqueous buffer. |
| Authors of publication | Ahamed, B. Nisar; Ghosh, Pradyut |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 24 |
| Pages of publication | 6411 - 6419 |
| a | 8.54 ± 0.002 Å |
| b | 12.871 ± 0.003 Å |
| c | 23.664 ± 0.006 Å |
| α | 90° |
| β | 106.426 ± 0.009° |
| γ | 90° |
| Cell volume | 2494.9 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.2087 |
| Weighted residual factors for all reflections included in the refinement | 0.2355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7015868.cif |
| 179862 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015868.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015868.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015868.cif |
| 21369 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015867, 7015868 via cif-deposit CGI script. |
7015868.cif |
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Users of the data should acknowledge the original authors of the
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