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Information card for entry 4108139
Preview
Coordinates | 4108139.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H62 Cl2 Ir N2 O5 |
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Calculated formula | C68.5 H56 Cl Ir N2 O5 |
SMILES | [Ir]123(Oc4c(C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c(c1ccccc1c3)c1c(ccc3ccccc13)c1ccccc1)CCCC2)cc1c(c4c2c(ccc3ccccc23)c2ccccc2)cccc1)(OC)c1ccccc1.ClCCl.OC.O |
Title of publication | Construction of Aryliridium-Salen Complexes: Enantio- and Cis-Selective Cyclopropanation of Conjugated and Nonconjugated Olefins |
Authors of publication | Hidehiro Suematsu; Shigefumi Kanchiku; Tatsuya Uchida; Tsutomu Katsuki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 10327 - 10337 |
a | 11.5638 ± 0.0006 Å |
b | 13.8887 ± 0.0008 Å |
c | 18.3931 ± 0.0011 Å |
α | 82.969 ± 0.0016° |
β | 73.271 ± 0.0014° |
γ | 75.505 ± 0.0015° |
Cell volume | 2734.9 ± 0.3 Å3 |
Cell temperature | 183.1 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for all reflections included in the refinement | 0.1398 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71075 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/4108139.html
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