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Information card for entry 4123177
Preview
| Coordinates | 4123177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H30 O4 Rh2 |
|---|---|
| Calculated formula | C20 H30 O4 Rh2 |
| SMILES | [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]1234OC(=[O][Rh]234([CH]5CC[CH]2=[CH]3CC[CH]4=5)OC(C)=[O]1)C |
| Title of publication | Rh(I)-Bisphosphine-Catalyzed Asymmetric, Intermolecular Hydroheteroarylation of α-Substituted Acrylate Derivatives. |
| Authors of publication | Filloux, Claire M.; Rovis, Tomislav |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 1 |
| Pages of publication | 508 - 517 |
| a | 8.9223 ± 0.0008 Å |
| b | 9.9063 ± 0.0008 Å |
| c | 12.6748 ± 0.0011 Å |
| α | 103.826 ± 0.004° |
| β | 90.574 ± 0.005° |
| γ | 112.147 ± 0.004° |
| Cell volume | 1001.31 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123177.cif |
| 179033 | 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. |
4123177.cif |
| 130669 | 2015-02-04 | cif/ Updating files of 4123177 Original log message: Adding full bibliography for 4123177.cif. |
4123177.cif |
| 129165 | 2014-12-30 | cif/ Adding structures of 4123177 via cif-deposit CGI script. |
4123177.cif |
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Users of the data should acknowledge the original authors of the
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