Information card for entry 7125839

Structure parameters

• Formula: C35 H30.5 N O2.5
• Calculated formula: C35 H30.5 N O2.25
• 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: 16.515 ± 0.004 Å
• b: 6.8442 ± 0.0013 Å
• c: 24.238 ± 0.004 Å
• α: 90°
• β: 105.844 ± 0.006°
• γ: 90°
• Cell volume: 2635.6 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1437
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No