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Information card for entry 4104902
Preview
Coordinates | 4104902.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 N2 O4 |
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Calculated formula | C29 H36 N2 O4 |
SMILES | O=C1N2N([C@H](C1)C(C)(C)C)[C@@H]([C@@H](C(=C2)OC(=O)C(C)(C)C)c1ccc(OC)cc1)c1ccccc1.O=C1N2N([C@@H](C1)C(C)(C)C)[C@H]([C@H](C(=C2)OC(=O)C(C)(C)C)c1ccc(OC)cc1)c1ccccc1 |
Title of publication | Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters |
Authors of publication | Nathan D. Shapiro; Yun Shi; F. Dean Toste |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 11654 - 11655 |
a | 10.4286 ± 0.0017 Å |
b | 11.2717 ± 0.0019 Å |
c | 11.714 ± 0.002 Å |
α | 79.044 ± 0.003° |
β | 86.108 ± 0.002° |
γ | 88.648 ± 0.003° |
Cell volume | 1348.7 ± 0.4 Å3 |
Cell temperature | 152 ± 2 K |
Ambient diffraction temperature | 152 ± 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 | 0.0794 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.119 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
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/4104902.html
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Users of the data should acknowledge the original authors of the
structural data.