Information card for entry 1558420

Structure parameters

• Formula: C25 H2 Cl6 F15 O2 Sb
• Calculated formula: C25 H2 Cl6 F15 O2 Sb
• 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: 10.37807 ± 0.00018 Å
• b: 18.8151 ± 0.0003 Å
• c: 15.5321 ± 0.0002 Å
• α: 90°
• β: 103.434 ± 0.0016°
• γ: 90°
• Cell volume: 2949.88 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No