Information card for entry 1571250

Structure parameters

• Formula: C25 H17 N4 P
• Calculated formula: C25 H17 N4 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: 6.0233 ± 0.0002 Å
• b: 7.6255 ± 0.0002 Å
• c: 21.2045 ± 0.0006 Å
• α: 90°
• β: 93.2936 ± 0.0009°
• γ: 90°
• Cell volume: 972.33 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0593
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No