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Information card for entry 4024937
Preview
Coordinates | 4024937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 N2 O2 |
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Calculated formula | C20 H28 N2 O2 |
SMILES | [O-]C(=O)c1n(cc[n+]1C(C)(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates |
Authors of publication | Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 7935 - 7942 |
a | 14.6394 ± 0.0004 Å |
b | 14.6394 ± 0.0004 Å |
c | 18.0698 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3872.58 ± 0.17 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0929 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/4024937.html
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Users of the data should acknowledge the original authors of the
structural data.