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Information card for entry 4129507
Preview
Coordinates | 4129507.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H31 N O4 |
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Calculated formula | C28 H31 N O4 |
SMILES | C1(CC(C1)(c1ccccc1)c1ccccc1)(CC(C)O/N=C/c1c(cccc1OC)OC)O |
Title of publication | Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions. |
Authors of publication | Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 36 |
Pages of publication | 11586 - 11589 |
a | 11.5 ± 0.003 Å |
b | 14.485 ± 0.004 Å |
c | 14.038 ± 0.004 Å |
α | 90° |
β | 98.392 ± 0.003° |
γ | 90° |
Cell volume | 2313.4 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0731 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4129507.html
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