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Information card for entry 4084197
Preview
Coordinates | 4084197.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 N2 O |
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Calculated formula | C20 H28 N2 O |
SMILES | [nH]1c2[C@@H]3N(CCc2c2ccccc12)C[C@H]1[C@@H](C3)CCCC1.OC.[nH]1c2[C@H]3N(CCc2c2ccccc12)C[C@@H]1[C@H](C3)CCCC1.OC |
Title of publication | Rhodium-Catalyzed Hydrocarbonylation of a Homoallylamine via N‒H Activation and Application for Synthesis of Yohimbane Alkaloids |
Authors of publication | Chiou, Wen-Hua; Wang, Yu-Wei; Kao, Chien-Lun; Chen, Po-Chou; Wu, Chen-Chang |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 16 |
Pages of publication | 4240 |
a | 6.7504 ± 0.0004 Å |
b | 11.597 ± 0.0009 Å |
c | 12.8888 ± 0.0014 Å |
α | 63.386 ± 0.009° |
β | 75.767 ± 0.007° |
γ | 81.754 ± 0.006° |
Cell volume | 873.75 ± 0.15 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.06 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
Diffraction radiation probe | x-ray |
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/4084197.html
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