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Information card for entry 4118070
Preview
| Coordinates | 4118070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TPCH |
|---|---|
| Formula | C26 H32 N4 O5 |
| Calculated formula | C26 H28 N4 O5 |
| Title of publication | From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate |
| Authors of publication | Yu-Chuan Chang; Sue-Lein Wang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 9848 - 9851 |
| a | 15.5701 ± 0.0008 Å |
| b | 11.3472 ± 0.0006 Å |
| c | 14.0056 ± 0.0007 Å |
| α | 90° |
| β | 91.147 ± 0.002° |
| γ | 90° |
| Cell volume | 2474 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.1676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4118070.cif |
| 178951 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80. |
4118070.cif |
| 75215 | 2013-03-08 | cif/ Adding structures of 4118070 via cif-deposit CGI script. |
4118070.cif |
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Users of the data should acknowledge the original authors of the
structural data.