Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4506729
Preview
| Coordinates | 4506729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 N2 O6 |
|---|---|
| Calculated formula | C28 H24 N2 O6 |
| SMILES | c1(c(cc(C=O)cc1)OC)O.n1c2ccccc2nc2ccccc12.c1(ccc(C=O)cc1OC)O |
| Title of publication | Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin |
| Authors of publication | Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 12 |
| Pages of publication | 5897 |
| a | 3.9402 ± 0.0005 Å |
| b | 35.146 ± 0.004 Å |
| c | 8.4585 ± 0.001 Å |
| α | 90° |
| β | 101.18 ± 0.002° |
| γ | 90° |
| Cell volume | 1149.1 ± 0.2 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.049 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4506729.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506729.cif |
| 71787 | 2013-01-21 | cif/ Adding structures of 4506729 via cif-deposit CGI script. |
4506729.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.