Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028228
Preview
| Coordinates | 7028228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N2 O2 S |
|---|---|
| Calculated formula | C15 H16 N2 O2 S |
| Title of publication | Dual role of 2-tosylaminomethylaniline as a ligand and a nucleophile in the copper-mediated oxidation of methanol. |
| Authors of publication | Sanmartín-Matalobos, Jesus; García-Deibe, Ana M; Briones-Miguéns, Lucía; González-Bello, Concepcion; Portela-García, Cristina; Fondo, Matilde |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 2 |
| Pages of publication | 722 - 728 |
| a | 15.9574 ± 0.0004 Å |
| b | 6.0364 ± 0.0001 Å |
| c | 14.9838 ± 0.0003 Å |
| α | 90° |
| β | 110.936 ± 0.001° |
| γ | 90° |
| Cell volume | 1348.03 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 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. |
7028228.cif |
| 179988 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82. |
7028228.cif |
| 105253 | 2014-03-12 | cif/ Adding structures of 7028228 via cif-deposit CGI script. |
7028228.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.