Information card for entry 4128562

Structure parameters

• Formula: C40 H38 Au Cl F12 N P
• 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>₂-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 ų
• 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