Information card for entry 1571200

Structure parameters

• Formula: C20 H17 N4 P
• Calculated formula: C20 H17 N4 P
• Title of publication: Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
• Authors of publication: Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 5980 - 5992
• a: 17.814 ± 0.0003 Å
• b: 14.2764 ± 0.0002 Å
• c: 14.7633 ± 0.0002 Å
• α: 90°
• β: 107.84 ± 0.002°
• γ: 90°
• Cell volume: 3574.06 ± 0.1 ų
• Cell temperature: 297.42 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No