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Information card for entry 4123199
Preview
| Coordinates | 4123199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 Cl6 N4 O6 Rh2 |
|---|---|
| Calculated formula | C20 H32 Cl6 N4 O6 Rh2 |
| SMILES | C(#[O])[Rh]123([C@H](CCC1=O)N(C(N(C)C)=[O]2)C)[Cl][Rh]12(C#[O])([C@@H](CCC1=O)N(C(N(C)C)=[O]2)C)[Cl]3.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes. |
| Authors of publication | Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 1 |
| Pages of publication | 463 - 468 |
| a | 8.708 ± 0.0003 Å |
| b | 9.9715 ± 0.0003 Å |
| c | 10.5466 ± 0.0003 Å |
| α | 66.505 ± 0.002° |
| β | 89.64 ± 0.002° |
| γ | 71.054 ± 0.002° |
| Cell volume | 786.31 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179033 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/31. |
4123199.cif |
| 130668 | 2015-02-04 | cif/ Updating files of 4123199, 4123200, 4123201, 4123202, 4123203, 4123204, 4123205, 4123206, 4123207 Original log message: Adding full bibliography for 4123199--4123207.cif. |
4123199.cif |
| 129182 | 2014-12-30 | cif/ Adding structures of 4123199 via cif-deposit CGI script. |
4123199.cif |
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