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Information card for entry 4066366
Preview
Coordinates | 4066366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H28 N2 |
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Calculated formula | C21 H28 N2 |
SMILES | N([C]N(C)c1c(cc(cc1C)C)C)(C)c1c(cc(cc1C)C)C |
Title of publication | Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities |
Authors of publication | Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 13 |
Pages of publication | 3047 |
a | 10.8009 ± 0.0017 Å |
b | 12.2469 ± 0.0019 Å |
c | 14.077 ± 0.002 Å |
α | 90° |
β | 92.447 ± 0.003° |
γ | 90° |
Cell volume | 1860.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1014 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1582 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71075 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/4066366.html
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Users of the data should acknowledge the original authors of the
structural data.