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Information card for entry 4504263
Preview
| Coordinates | 4504263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 N4 O10 |
|---|---|
| Calculated formula | C28 H20 N4 O10 |
| SMILES | c1c2c3c(ccc4c3c(c1)C(=O)OC4=O)C(=O)OC2=O.c1(ccc(c(c1)C)N)N(=O)=O.c1(ccc(c(c1)C)N)N(=O)=O |
| Title of publication | The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides |
| Authors of publication | Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 4 |
| Pages of publication | 616 |
| a | 8.307 ± 0.002 Å |
| b | 8.894 ± 0.002 Å |
| c | 9.179 ± 0.002 Å |
| α | 110.23 ± 0.004° |
| β | 103.873 ± 0.005° |
| γ | 97.109 ± 0.005° |
| Cell volume | 601.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2227 |
| Weighted residual factors for all reflections included in the refinement | 0.3243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
4504263.cif |
| 179577 | 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 4/50/42. |
4504263.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504263.cif |
| 45008 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504263 via cif-deposit CGI script. |
4504263.cif |
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Users of the data should acknowledge the original authors of the
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