Information card for entry 7125842

Structure parameters

• Formula: C56 H59 N
• Calculated formula: C56 H59 N
• Title of publication: Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.
• Authors of publication: Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 16
• Pages of publication: 2487 - 2490
• a: 15.828 ± 0.006 Å
• b: 16.995 ± 0.006 Å
• c: 16.819 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4524 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No