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Information card for entry 4029509
Preview
Coordinates | 4029509.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 N2 O2 |
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Calculated formula | C18 H18 N2 O2 |
SMILES | n12c3c(cccc3)c(c2C(=C(CC1)C(=O)OC)CCC)C#N |
Title of publication | Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole. |
Authors of publication | Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 12 |
Pages of publication | 5903 - 5907 |
a | 9.088 ± 0.004 Å |
b | 12.184 ± 0.003 Å |
c | 15.086 ± 0.003 Å |
α | 101.612 ± 0.02° |
β | 90.49 ± 0.03° |
γ | 107.47 ± 0.03° |
Cell volume | 1556.5 ± 0.9 Å3 |
Cell temperature | 297.8 ± 0.8 K |
Ambient diffraction temperature | 297.8 ± 0.8 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 | 0.2932 |
Residual factor for significantly intense reflections | 0.1188 |
Weighted residual factors for significantly intense reflections | 0.1879 |
Weighted residual factors for all reflections included in the refinement | 0.2696 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
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/4029509.html
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Users of the data should acknowledge the original authors of the
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