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Information card for entry 4504265
Preview
| Coordinates | 4504265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H26 N2 O12 |
|---|---|
| Calculated formula | C32 H26 N2 O12 |
| SMILES | c12c3C(=O)OC(=O)c2ccc2c1c(cc3)C(=O)OC2=O.C1OCCOC1.Nc1cccc(c1)C(=O)O.c1(cccc(c1)N)C(=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 | 7.006 ± 0.002 Å |
| b | 9.99 ± 0.003 Å |
| c | 10.19 ± 0.004 Å |
| α | 83.081 ± 0.007° |
| β | 81.603 ± 0.007° |
| γ | 76.866 ± 0.008° |
| Cell volume | 684.3 ± 0.4 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1546 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
4504265.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. |
4504265.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504265.cif |
| 45010 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504265 via cif-deposit CGI script. |
4504265.cif |
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Users of the data should acknowledge the original authors of the
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