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Information card for entry 4506720
Preview
| Coordinates | 4506720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H32 N4 O6 |
|---|---|
| Calculated formula | C22 H32 N4 O6 |
| Title of publication | Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound |
| Authors of publication | Prohens, Rafel; Portell, Anna; Alcob Xavier |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 9 |
| Pages of publication | 4548 |
| a | 16.37064 ± 0.00012 Å |
| b | 10.0064 ± 0.00006 Å |
| c | 7.27971 ± 0.00003 Å |
| α | 90° |
| β | 98.8213 ± 0.0005° |
| γ | 90° |
| Cell volume | 1178.39 ± 0.012 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor R(I) for significantly intense reflections | 1.1076 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54175 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179603 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67. |
4506720.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506720.cif |
| 71778 | 2013-01-21 | cif/ Adding structures of 4506720 via cif-deposit CGI script. |
4506720.cif |
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Users of the data should acknowledge the original authors of the
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