Information card for entry 1571249

Structure parameters

• Formula: C29 H27 N4 O P
• Calculated formula: C29 H27 N4 O P
• Title of publication: Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
• Authors of publication: Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5496 - 5506
• a: 10.539 ± 0.002 Å
• b: 10.9798 ± 0.0018 Å
• c: 11.7826 ± 0.0015 Å
• α: 92.457 ± 0.009°
• β: 108.816 ± 0.004°
• γ: 103.145 ± 0.004°
• Cell volume: 1246.7 ± 0.4 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No