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Information card for entry 7150917
Preview
| Coordinates | 7150917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H14 N2 O3 |
|---|---|
| Calculated formula | C14 H14 N2 O3 |
| SMILES | O1C(=O)[C@H](N(O)[C@H](c2ccccc2)C1)c1c[nH]cc1 |
| Title of publication | Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones |
| Authors of publication | Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2574 - 2586 |
| a | 5.96 ± 0.001 Å |
| b | 12.835 ± 0.002 Å |
| c | 16.626 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1271.8 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections | 1.512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.512 |
| 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. |
7150917.cif |
| 193981 | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7150917.cif |
| 192836 | 2017-03-03 | cif/7/ (antanas@echidna.ibt.lt) Changing the values of the '_atom_site_label' and related data items (e. g. '_atom_site_aniso_label') to match each other in order to relate data from different loops in entries 7052517, 7053423, 7053424, 7053425, 7102259, 7111207, 7150914, 7150915, 7150916, 7150917. |
7150917.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. |
7150917.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7150917.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150917.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150917.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150917.cif |
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Users of the data should acknowledge the original authors of the
structural data.