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Information card for entry 4128562
Preview
Coordinates | 4128562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H38 Au Cl F12 N P |
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Calculated formula | C40 H38 Au Cl F12 N P |
SMILES | [Au](Cl)[P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccc(N2[C@H](CC[C@@H]2c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 |
Title of publication | Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element. |
Authors of publication | Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 30 |
Pages of publication | 11858 - 11863 |
a | 9.3985 ± 0.00009 Å |
b | 35.4184 ± 0.0004 Å |
c | 11.55526 ± 0.00011 Å |
α | 90° |
β | 90.1733 ± 0.0009° |
γ | 90° |
Cell volume | 3846.5 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.142 |
Weighted residual factors for all reflections included in the refinement | 0.1424 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.464 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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