Information card for entry 7131580

Structure parameters

• Formula: C31.5 H29 B Cl F15 N O2 P
• Calculated formula: C31.5 H29 B Cl F15 N 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: 18.0505 ± 0.0004 Å
• b: 21.0295 ± 0.0005 Å
• c: 9.8168 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3726.39 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No