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Information card for entry 4088696
Preview
Coordinates | 4088696.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H54 Cl4 N2 P2 Rh2 |
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Calculated formula | C56 H54 Cl4 N2 P2 Rh2 |
SMILES | c1ccc2C(C(C)C)=[NH][Rh]3(c2c1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl][Rh]1(c2c(C(C(C)C)=[NH]1)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl]3)Cl)Cl |
Title of publication | C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes |
Authors of publication | Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 11 |
Pages of publication | 2026 |
a | 26.6329 ± 0.001 Å |
b | 16.7211 ± 0.0016 Å |
c | 11.7832 ± 0.0004 Å |
α | 90° |
β | 101.743 ± 0.008° |
γ | 90° |
Cell volume | 5137.6 ± 0.6 Å3 |
Cell temperature | 143 K |
Ambient diffraction temperature | 143 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0603 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1356 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
237772 (current) | 2019-11-24 | cif/ Adding structures of 4088693, 4088694, 4088695, 4088696 via cif-deposit CGI script. |
4088696.cif |
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Users of the data should acknowledge the original authors of the
structural data.