Information card for entry 7042043

Structure parameters

• Formula: C29 H40 F4 N3 Sb
• Calculated formula: C29 H40 F4 N3 Sb
• Title of publication: Small molecule activation: SbF3 auto-ionization supported by transfer and mesoionic NHC rearrangement.
• Authors of publication: Alič, Blaž; Štefančič, Aleš; Tavčar, Gašper
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3338 - 3346
• a: 21.3988 ± 0.0004 Å
• b: 13.5732 ± 0.0003 Å
• c: 10.4153 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3025.13 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No