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Information card for entry 4116422
Preview
| Coordinates | 4116422.cif |
|---|---|
| Structure factors | 4116422.hkl |
| Original paper (by DOI) | HTML |
| Formula | C19 H25 N4 P |
|---|---|
| Calculated formula | C19 H25 N4 P |
| SMILES | [P@]1(=Nc2ccccc2)(N(C[C@H]2N1CCC2)c1ccccc1)N(C)C |
| Title of publication | First Iminodiazaphospholidines with a Stereogenic Phosphorus Center. Application to Asymmetric Copper-Catalyzed Cyclopropanation |
| Authors of publication | Jean Michel Brunel; Olivier Legrand; Sébastien Reymond; Gérard Buono |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 5807 - 5808 |
| a | 19.913 ± 0.001 Å |
| b | 19.913 ± 0.001 Å |
| c | 9.269 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 90 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 3675.4 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.187 |
| Goodness-of-fit parameter for significantly intense reflections | 1.894 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | xray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181929 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/11. |
4116422.cif 4116422.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116422.cif 4116422.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116422.cif 4116422.hkl |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4116422.cif 4116422.hkl |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116422.cif 4116422.hkl |
| 71041 | 2013-01-16 | cif/ hkl/ Adding structures of 4116422 via cif-deposit CGI script. |
4116422.cif 4116422.hkl |
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Users of the data should acknowledge the original authors of the
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