Information card for entry 7045700

Structure parameters

• Formula: C33 H39 B2 F10 P S
• Calculated formula: C33 H39 B2 F10 P S
• Title of publication: Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.
• Authors of publication: Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 4449 - 4454
• a: 9.0259 ± 0.0006 Å
• b: 24.2046 ± 0.0013 Å
• c: 15.7132 ± 0.001 Å
• α: 90°
• β: 98.923 ± 0.002°
• γ: 90°
• Cell volume: 3391.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No