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Information card for entry 4080878
Preview
Coordinates | 4080878.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H28 Au N3 O2 |
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Calculated formula | C25 H28 Au N3 O2 |
SMILES | [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)N1C(=O)CCC1=O |
Title of publication | Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization |
Authors of publication | Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3108 |
a | 9.6744 ± 0.0004 Å |
b | 20.2249 ± 0.0009 Å |
c | 12.7004 ± 0.0006 Å |
α | 90° |
β | 109.804 ± 0.001° |
γ | 90° |
Cell volume | 2338.04 ± 0.18 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 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 | 0.0271 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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