Information card for entry 1558419

Structure parameters

• Formula: C18 H6 Bi F9
• Calculated formula: C18 H6 Bi F9
• SMILES: [Bi](c1cc(F)c(F)c(F)c1)(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1
• Title of publication: Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations
• Authors of publication: Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 7.16588 ± 0.00007 Å
• b: 14.61823 ± 0.00016 Å
• c: 17.01631 ± 0.00016 Å
• α: 98.5736 ± 0.0008°
• β: 94.0812 ± 0.0008°
• γ: 102.497 ± 0.0008°
• Cell volume: 1710.92 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No