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Information card for entry 4085642
Preview
Coordinates | 4085642.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H42 Au Cl N2 |
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Calculated formula | C32 H42 Au Cl N2 |
SMILES | [Au](Cl)=C1n2c(=CN1C13CC4CC(C1)CC(C3)C4)cccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C |
Title of publication | Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis |
Authors of publication | Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Pages of publication | 150320082744001 |
a | 13.7365 ± 0.0008 Å |
b | 17.7992 ± 0.0007 Å |
c | 13.0475 ± 0.0005 Å |
α | 90° |
β | 118.173 ± 0.002° |
γ | 90° |
Cell volume | 2812.2 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0686 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0478 |
Weighted residual factors for all reflections included in the refinement | 0.0502 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4085642.html
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