Information card for entry 1571204

Structure parameters

• Common name: Compound_31
• Chemical name: Compound_31
• Formula: C35.2 H31.2 N4.8 O2 P1.6
• Calculated formula: C35.2 H31.2 N4.8 O2 P1.6
• 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: 12.0258 ± 0.0001 Å
• b: 17.4694 ± 0.0001 Å
• c: 19.0196 ± 0.0001 Å
• α: 90°
• β: 102.948 ± 0.001°
• γ: 90°
• Cell volume: 3894.11 ± 0.05 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No