Information card for entry 1558415

Structure parameters

• Formula: C24 H8 F12 Sn
• Calculated formula: C24 H8 F12 Sn
• SMILES: [Sn](c1cc(F)c(F)c(F)c1)(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: 13.3697 ± 0.0003 Å
• b: 13.3697 ± 0.0003 Å
• c: 23.8975 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4271.7 ± 0.2 ų
• Cell temperature: 99.99 ± 0.13 K
• Ambient diffraction temperature: 99.99 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No