Information card for entry 7719058

Structure parameters

• Formula: C51 H60 B N
• Calculated formula: C51 H60 B N
• Title of publication: The investigation of the steric hindrance of anilines by means of reactions with PCl₃ and BCl₃.
• Authors of publication: Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 11845 - 11856
• a: 17.0477 ± 0.0009 Å
• b: 15.1836 ± 0.0006 Å
• c: 17.3378 ± 0.0009 Å
• α: 90°
• β: 103.423 ± 0.002°
• γ: 90°
• Cell volume: 4365.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No