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Information card for entry 4036713
Preview
Coordinates | 4036713.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H29 N O3 |
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Calculated formula | C35 H29 N O3 |
SMILES | O=C(Cn1cc(c(c1c1ccccc1)C(=C\C(=O)OCC)/c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction. |
Authors of publication | Li, Xiangdong; Xie, Xin; Liu, Yuanhong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3688 - 3699 |
a | 11.2211 ± 0.0014 Å |
b | 12.2573 ± 0.0016 Å |
c | 12.3317 ± 0.0017 Å |
α | 64.763 ± 0.003° |
β | 84.332 ± 0.003° |
γ | 62.918 ± 0.002° |
Cell volume | 1356.4 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293.15 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 | 0.0967 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1172 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4036713.html
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Users of the data should acknowledge the original authors of the
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