Information card for entry 4025834

Structure parameters

• Formula: C29 H27 N O4
• Calculated formula: C29 H27 N O4
• SMILES: N1([C@@]2(CC[C@@]2(C(=C1c1ccccc1)C(=O)OC)C(=O)OC)c1ccccc1)c1ccc(cc1)C.N1([C@]2(CC[C@]2(C(=C1c1ccccc1)C(=O)OC)C(=O)OC)c1ccccc1)c1ccc(cc1)C
• Title of publication: Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis
• Authors of publication: Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7769 - 7780
• a: 7.5332 ± 0.0012 Å
• b: 18.566 ± 0.003 Å
• c: 33.103 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4629.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No