Information card for entry 7125845

Structure parameters

• Formula: C68 H83 N
• Calculated formula: C68 H83 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: 19.1224 ± 0.0007 Å
• b: 13.9671 ± 0.0005 Å
• c: 20.7356 ± 0.0007 Å
• α: 90°
• β: 93.252 ± 0.001°
• γ: 90°
• Cell volume: 5529.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No