Information card for entry 7130679

Structure parameters

• Formula: C49 H52 B Cl10 N O P Sb
• Calculated formula: C49 H52 B Cl10 N O P Sb
• SMILES: c12ccccc1C[N](C)(C)[Sb@]2(c1c(cc(cc1C)C)C)[O]=P(CC)(CC)CC.c1(cc(cc(c1)Cl)Cl)[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl.C(Cl)Cl
• Title of publication: Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.
• Authors of publication: Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 11009 - 11012
• a: 20.494 ± 0.0018 Å
• b: 12.5955 ± 0.0011 Å
• c: 20.8355 ± 0.0018 Å
• α: 90°
• β: 100.742 ± 0.002°
• γ: 90°
• Cell volume: 5284.1 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No