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Information card for entry 4503834
Preview
| Coordinates | 4503834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | 1:2 complex of pluoroglucinol and acridine |
|---|---|
| Chemical name | 1:2 complex of pluoroglucinol and acridine |
| Formula | C32 H24 N2 O3 |
| Calculated formula | C32 H24 N2 O3 |
| SMILES | Oc1cc(O)cc(O)c1.n1c2c(cccc2)cc2c1cccc2.n1c2c(cccc2)cc2c1cccc2 |
| Title of publication | The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals |
| Authors of publication | Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 4546 |
| a | 12.3666 ± 0.0014 Å |
| b | 13.714 ± 0.0016 Å |
| c | 14.006 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2375.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 373 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503834.cif |
| 201982 | 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. |
4503834.cif |
| 179573 | 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 4/50/38. |
4503834.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503834.cif |
| 41804 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503834 via cif-deposit CGI script. |
4503834.cif |
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Users of the data should acknowledge the original authors of the
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