Information card for entry 4038867

Structure parameters

• Formula: C42 H58 N2 P4
• Calculated formula: C42 H58 N2 P4
• Title of publication: Dynamic covalent chemistry approach toward 18-membered P₄N₂ macrocycles and their nickel(II) complexes.
• Authors of publication: Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 21.8967 ± 0.0007 Å
• b: 8.026 ± 0.0002 Å
• c: 25.7249 ± 0.0011 Å
• α: 90°
• β: 111.928 ± 0.004°
• γ: 90°
• Cell volume: 4193.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No