Information card for entry 7131579

Structure parameters

• Formula: C93 H57 B2 F30 N4 O4
• Calculated formula: C93 H57 B2 F30 N4 O4
• 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: 12.0364 ± 0.0006 Å
• b: 12.5026 ± 0.0005 Å
• c: 15.3806 ± 0.0006 Å
• α: 77.149 ± 0.002°
• β: 78.57 ± 0.003°
• γ: 72.546 ± 0.003°
• Cell volume: 2131.08 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No