Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4506719
Preview
| Coordinates | 4506719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H48 N4 O12 |
|---|---|
| Calculated formula | C34 H48 N4 O12 |
| 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 | 7.048 ± 0.00006 Å |
| b | 9.32696 ± 0.00015 Å |
| c | 14.50037 ± 0.00019 Å |
| α | 76.7937 ± 0.0009° |
| β | 81.7078 ± 0.0007° |
| γ | 77.438 ± 0.0006° |
| Cell volume | 901.29 ± 0.02 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 R(I) for significantly intense reflections | 3.7491 |
| 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. |
4506719.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506719.cif |
| 71777 | 2013-01-21 | cif/ Adding structures of 4506719 via cif-deposit CGI script. |
4506719.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.