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Information card for entry 4107811
Preview
Coordinates | 4107811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 N2 |
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Calculated formula | C27 H26 N2 |
SMILES | N1([C]N(CC1)c1c2cc(ccc2ccc1C)C)c1c2cc(ccc2ccc1C)C |
Title of publication | Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes |
Authors of publication | Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6848 - 6858 |
a | 15.9174 ± 0.0005 Å |
b | 10.7396 ± 0.0004 Å |
c | 25.1724 ± 0.001 Å |
α | 90° |
β | 98.385 ± 0.002° |
γ | 90° |
Cell volume | 4257.1 ± 0.3 Å3 |
Cell temperature | 160 ± 1 K |
Ambient diffraction temperature | 160 ± 1 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 | 0.1442 |
Residual factor for significantly intense reflections | 0.0748 |
Weighted residual factors for significantly intense reflections | 0.1977 |
Weighted residual factors for all reflections included in the refinement | 0.2333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4107811.html
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Users of the data should acknowledge the original authors of the
structural data.