Information card for entry 1516262

Structure parameters

• Formula: C20 H38 Au Cl4 N5
• Calculated formula: C20 H38 Au Cl4 N5
• SMILES: N1(CCN(C)C1=NC1=C(C1=[N+](C(C)C)C(C)C)N(C(C)C)C(C)C)C.[Au](Cl)(Cl)(Cl)[Cl-]
• Title of publication: A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations.
• Authors of publication: Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2790 - 2793
• a: 8.9016 ± 0.0006 Å
• b: 12.934 ± 0.0009 Å
• c: 13.6174 ± 0.0009 Å
• α: 63.626 ± 0.003°
• β: 78.563 ± 0.003°
• γ: 80.061 ± 0.003°
• Cell volume: 1370.35 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No