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Information card for entry 1503753
Preview
Coordinates | 1503753.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H19 Cl N3 O Rh |
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Calculated formula | C20 H19 Cl N3 O Rh |
SMILES | [Rh]1(=C2N(C=CN2C)C(=[N]1c1c(cccc1C)C)c1ccccc1)(Cl)C#[O] |
Title of publication | Highly cis-selective cyclopropanations with ethyl diazoacetate using a novel Rh(I) catalyst with a chelating N-heterocyclic iminocarbene ligand. |
Authors of publication | Rosenberg, Marianne Lenes; Krivokapic, Alexander; Tilset, Mats |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 3 |
Pages of publication | 547 - 550 |
a | 10.3952 ± 0.001 Å |
b | 10.8758 ± 0.0011 Å |
c | 16.4618 ± 0.0016 Å |
α | 90° |
β | 93.302 ± 0.001° |
γ | 90° |
Cell volume | 1858 ± 0.3 Å3 |
Cell temperature | 103 K |
Ambient diffraction temperature | 103 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for all reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0311 |
Weighted residual factors for all reflections included in the refinement | 0.0296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0973 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503753.html
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