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Information card for entry 7206282
Preview
| Coordinates | 7206282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39.5 H51.25 N3.75 O9 |
|---|---|
| Calculated formula | C39.5 H51.25 N3.75 O9 |
| Title of publication | Dimeric self-association of an isophthalamide macrocycle in solution and the solid state |
| Authors of publication | Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 14 |
| Pages of publication | 4586 |
| a | 13.5639 ± 0.0001 Å |
| b | 16.2244 ± 0.0001 Å |
| c | 19.8583 ± 0.0002 Å |
| α | 102.619 ± 0.0004° |
| β | 92.0868 ± 0.0004° |
| γ | 113.495 ± 0.0004° |
| Cell volume | 3873.6 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for all reflections | 0.1441 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9236 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206282.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7206282.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206282.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206282.cif |
| 23588 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206275, 7206276, 7206277, 7206278, 7206279, 7206280, 7206281, 7206282 via cif-deposit CGI script. |
7206282.cif |
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Users of the data should acknowledge the original authors of the
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