Information card for entry 7158799

Structure parameters

• Formula: C122 H145 Au2 Cl2 N5 O8 P2
• Calculated formula: C122 H145 Au2 Cl2 N5 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: 12.0018 ± 0.0003 Å
• b: 15.5165 ± 0.0004 Å
• c: 17.7252 ± 0.0004 Å
• α: 68.278 ± 0.002°
• β: 84.913 ± 0.002°
• γ: 85.553 ± 0.002°
• Cell volume: 3050.85 ± 0.14 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: 0.0553
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No