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Information card for entry 7150694
Preview
| Coordinates | 7150694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H35 N O6 |
|---|---|
| Calculated formula | C27 H35 N O6 |
| SMILES | O=C(C)c1ccc(cc1)c1c(O)c(cc(c1)CC(NC(=O)OC(C)(C)C)C(=O)OC)C(C)(C)C |
| Title of publication | The catalytic ortho-arylation of tyrosine |
| Authors of publication | Bedford, Robin B.; Haddow, Mairi F.; Webster, Ruth L.; Mitchell, Charlotte J. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 15 |
| Pages of publication | 3119 |
| a | 9.9888 ± 0.001 Å |
| b | 10.6897 ± 0.001 Å |
| c | 13.5774 ± 0.0013 Å |
| α | 85.729 ± 0.006° |
| β | 68.552 ± 0.005° |
| γ | 71.738 ± 0.005° |
| Cell volume | 1280.1 ± 0.2 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 | 0.0595 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 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. |
7150694.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7150694.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7150694.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150694.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150694.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150694.cif |
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Users of the data should acknowledge the original authors of the
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