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Information card for entry 1517889
Preview
| Coordinates | 1517889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | HM-II-156A-needles |
|---|---|
| Chemical name | tostediazene |
| Formula | C20 H20 N2 O3 |
| Calculated formula | C20 H20 N2 O3 |
| Title of publication | Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst. |
| Authors of publication | Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D. |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 170 - 173 |
| a | 5.7962 ± 0.0003 Å |
| b | 29.2094 ± 0.0014 Å |
| c | 15.6928 ± 0.0008 Å |
| α | 90° |
| β | 97.272 ± 0.003° |
| γ | 90° |
| Cell volume | 2635.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517889.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1517889.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517889.cif |
| 130965 | 2015-02-04 | cif/ Updating files of 1517889 Original log message: Adding full bibliography for 1517889.cif. |
1517889.cif |
| 124494 | 2014-10-03 | cif/ Adding structures of 1517889 via cif-deposit CGI script. |
1517889.cif |
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Users of the data should acknowledge the original authors of the
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