Information card for entry 7158800

Structure parameters

• Formula: C117.5 H137.5 Au2 Cl6.5 N2 O8 P2
• Calculated formula: C117.5 H137.5 Au2 Cl6.5 N2 O8 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: 30.4353 ± 0.0006 Å
• b: 15.4148 ± 0.0002 Å
• c: 25.1048 ± 0.0004 Å
• α: 90°
• β: 90.541 ± 0.002°
• γ: 90°
• Cell volume: 11777.5 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No