Information card for entry 7131581

Structure parameters

• Formula: C44.5 H31.75 B F15 N2.25 O2 P
• Calculated formula: C44.5 H31.75 B F15 N2.25 O2 P
• Title of publication: Reactivity of frustrated Lewis pairs with BOC protected diazocarboxylates: FLP capture of diazene.
• Authors of publication: Hussain, Zahid; Luo, Yong-An; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 41
• Pages of publication: 6191 - 6194
• a: 13.2472 ± 0.0004 Å
• b: 18.1497 ± 0.0006 Å
• c: 18.8421 ± 0.0006 Å
• α: 99.604 ± 0.002°
• β: 106.074 ± 0.002°
• γ: 93.126 ± 0.002°
• Cell volume: 4267.8 ± 0.2 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1588
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.3298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No