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Information card for entry 4317119
Preview
| Coordinates | 4317119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C31 H35 N3 O4 |
|---|---|
| Calculated formula | C31 H35 N3 O4 |
| SMILES | [nH]1c(c(nc1c1ccc(N2CCOCCOCCOCCOCC2)cc1)c1ccccc1)c1ccccc1 |
| Title of publication | Exploring the Emissive Properties of New Azacrown Compounds Bearing Aryl, Furyl, or Thienyl Moieties: A Special Case of Chelation Enhancement of Fluorescence upon Interaction with Ca2+, Cu2+, or Ni2+ |
| Authors of publication | Elisabete Oliveira; Rosa M. F. Baptista; Susana P. G. Costa; M. Manuela M. Raposo; Carlos Lodeiro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10847 - 10857 |
| a | 28.2016 ± 0.0011 Å |
| b | 28.2016 ± 0.0011 Å |
| c | 15.4533 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12290.5 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 130 |
| Hermann-Mauguin space group symbol | P 4/n c c :2 |
| Hall space group symbol | -P 4a 2ac |
| Residual factor for all reflections | 0.1441 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.2291 |
| Weighted residual factors for all reflections included in the refinement | 0.2516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4317119.cif |
| 179251 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/71. |
4317119.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317119.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317119.cif |
| 10631 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317119 via cif-deposit CGI script. |
4317119.cif |
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Users of the data should acknowledge the original authors of the
structural data.