Information card for entry 7158801

Structure parameters

• Formula: C166 H204 Au2 Cl2 N2 O10 P2
• Calculated formula: C166 H204 Au2 Cl2 N2 O10 P2
• Title of publication: Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes
• Authors of publication: Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 14.1201 ± 0.0003 Å
• b: 14.4758 ± 0.0003 Å
• c: 18.9307 ± 0.0003 Å
• α: 88.005 ± 0.002°
• β: 85.593 ± 0.002°
• γ: 86.527 ± 0.002°
• Cell volume: 3849.14 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No