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Information card for entry 7113062
Preview
Coordinates | 7113062.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H32 Au Cl N2 |
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Calculated formula | C27 H32 Au Cl N2 |
SMILES | [Au](Cl)=C1N2[C@H](Cc3ccccc3C2=C2N1[C@H](Cc1c2cccc1)CC(C)C)CC(C)C |
Title of publication | Isoquinoline-based chiral monodentate N-heterocyclic carbenes. |
Authors of publication | Hirsch-Weil, Dimitri; Abboud, Khalil A.; Hong, Sukwon |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 40 |
Pages of publication | 7525 - 7527 |
a | 9.4129 ± 0.0006 Å |
b | 16.729 ± 0.0011 Å |
c | 17.6201 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2774.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0216 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0569 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.849 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7113062.html
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