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Information card for entry 4024269
Preview
| Coordinates | 4024269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H31 N3 O4 S |
|---|---|
| Calculated formula | C31 H31 N3 O4 S |
| SMILES | S1[C@]2(N(c3c1cccc3)CC)C(N(c1ccccc1)C(=N\c1ccccc1)/[C@@]2(C(=O)OC)C)=C(C(=O)OC)C.S1[C@@]2(N(c3c1cccc3)CC)C(N(c1ccccc1)C(=N\c1ccccc1)/[C@]2(C(=O)OC)C)=C(C(=O)OC)C |
| Title of publication | An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines |
| Authors of publication | Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 850 - 855 |
| a | 9.3477 ± 0.0012 Å |
| b | 10.137 ± 0.0014 Å |
| c | 16.035 ± 0.002 Å |
| α | 101.292 ± 0.002° |
| β | 93.471 ± 0.003° |
| γ | 112.752 ± 0.004° |
| Cell volume | 1358.4 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178421 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/42. |
4024269.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024269.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024269.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024269.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024269.cif |
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Users of the data should acknowledge the original authors of the
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