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Information card for entry 4505459
Preview
| Coordinates | 4505459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | N-palmitoyl, O-myristoylethanolamine |
|---|---|
| Formula | C32 H63 N O3 |
| Calculated formula | C32 H63 N O3 |
| SMILES | O=C(OCCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC |
| Title of publication | Nonclassical Odd–even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism |
| Authors of publication | Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 1132 |
| a | 8.8445 ± 0.0015 Å |
| b | 4.8785 ± 0.0008 Å |
| c | 73 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3149.8 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.1529 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.427 |
| 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. |
4505459.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. |
4505459.cif |
| 179589 | 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 4/50/54. |
4505459.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505459.cif |
| 51766 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505459 via cif-deposit CGI script. |
4505459.cif |
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Users of the data should acknowledge the original authors of the
structural data.