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Information card for entry 7151499
Preview
| Coordinates | 7151499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C33 H41 N O4 |
|---|---|
| Calculated formula | C33 H41 N O4 |
| SMILES | O(N(OCc1ccc(cc1)C(C)(C)C)C(=O)c1ccc(cc1)C(C)(C)C)C(=O)c1ccc(cc1)C(C)(C)C |
| Title of publication | Crystal structures and properties of mutagenic N-acyloxy-N-alkoxyamides ? ?most pyramidal? acyclic amides |
| Authors of publication | Gillson, Ashley-Mae E.; Glover, Stephen A.; Tucker, David J.; Turner, Peter |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 19 |
| Pages of publication | 3430 |
| a | 9.291 ± 0.0019 Å |
| b | 17.063 ± 0.004 Å |
| c | 18.64 ± 0.004 Å |
| α | 90° |
| β | 98.007 ± 0.004° |
| γ | 90° |
| Cell volume | 2926.2 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0607 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.318 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7151499.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. |
7151499.cif |
| 180300 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/14. |
7151499.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151499.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151499.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151499.cif |
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Users of the data should acknowledge the original authors of the
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