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Information card for entry 7202636
Preview
| Coordinates | 7202636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C34 H52 N2 O4 |
|---|---|
| Calculated formula | C34 H52 N2 O4 |
| SMILES | c1(c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)C(=O)NCCCCNC(=O)c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O |
| Title of publication | Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides |
| Authors of publication | Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 746 |
| a | 10.0092 ± 0.0006 Å |
| b | 11.2895 ± 0.0007 Å |
| c | 15.5109 ± 0.0008 Å |
| α | 98.9 ± 0.04° |
| β | 102.04 ± 0.05° |
| γ | 104 ± 0.05° |
| Cell volume | 1623.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.132 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7202636.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202636.cif |
| 180357 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26. |
7202636.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202636.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202636.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202636.cif |
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Users of the data should acknowledge the original authors of the
structural data.