Information card for entry 7118438

Structure parameters

• Formula: C30 H17 B F13 O3 P S
• Calculated formula: C30 H17 B F13 O3 P S
• Title of publication: Cooperative reaction chemistry derived from a borata-diene framework.
• Authors of publication: Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1393 - 1396
• a: 10.0309 ± 0.0004 Å
• b: 16.5754 ± 0.0006 Å
• c: 17.784 ± 0.0007 Å
• α: 90°
• β: 96.069 ± 0.002°
• γ: 90°
• Cell volume: 2940.3 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No