Information card for entry 1565052

Structure parameters

• Formula: C34 H40 Au Cl2 P
• Calculated formula: C34 H40 Au Cl2 P
• SMILES: [Au](Cl)[P](CCc1c2c3cccc(Cl)c3c2ccc1)(C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3
• Title of publication: Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides
• Authors of publication: Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 14.9836 ± 0.0005 Å
• b: 18.8065 ± 0.0004 Å
• c: 10.73917 ± 0.00019 Å
• α: 90°
• β: 104.561 ± 0.002°
• γ: 90°
• Cell volume: 2928.98 ± 0.13 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No