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Information card for entry 4089104
Preview
Coordinates | 4089104.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H31 Fe N O4 |
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Calculated formula | C24 H31 Fe N O4 |
SMILES | [Fe](=C1N(C(C)(CC1(C)C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Cyclic (Alkyl)amino Carbene Based Iron Catalyst for Regioselective Dimerization of Terminal Arylalkynes |
Authors of publication | Bhunia, Mrinal; Sahoo, Sumeet R.; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 21 |
Pages of publication | 3775 |
a | 15.7767 ± 0.0005 Å |
b | 9.8101 ± 0.0002 Å |
c | 16.6158 ± 0.0005 Å |
α | 90° |
β | 116.756 ± 0.004° |
γ | 90° |
Cell volume | 2296.3 ± 0.14 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation probe | x-ray |
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/4089104.html
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Users of the data should acknowledge the original authors of the
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