Information card for entry 7126008

Structure parameters

• Formula: C33 H16 B F9 O2
• Calculated formula: C33 H16 B F9 O2
• Title of publication: 1,3-Carboboration of iodonium ylides.
• Authors of publication: Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 22
• Pages of publication: 3345 - 3348
• a: 9.717 ± 0.0004 Å
• b: 10.2493 ± 0.0005 Å
• c: 15.4586 ± 0.0009 Å
• α: 85.283 ± 0.004°
• β: 75.672 ± 0.004°
• γ: 66.463 ± 0.004°
• Cell volume: 1367.33 ± 0.13 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No