Information card for entry 1565051

Structure parameters

• Formula: C33 H38 Au Cl I P
• Calculated formula: C33 H38 Au Cl I P
• SMILES: [Au](I)[P](Cc1cccc2c3c(Cl)cccc3c12)(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: 32.0368 ± 0.0005 Å
• b: 9.95226 ± 0.00015 Å
• c: 19.0362 ± 0.0003 Å
• α: 90°
• β: 105.875 ± 0.0017°
• γ: 90°
• Cell volume: 5838 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No