Information card for entry 7048147

Structure parameters

• Chemical name: 1,9-bis((R,S)-α-methylbenzyl)-3,7,11,15-tetramesityl-1,9-diaza-3,7,11,15-(RSSR)-tetraphosphacyclohexadecane
• Formula: C86 H106 N2 P4
• Calculated formula: C86 H106 N2 P4
• Title of publication: Chiral [16]-ane P₄N₂ macrocycles: stereoselective synthesis and unexpected intermolecular exchange of endocyclic fragments.
• Authors of publication: Musina, E. I.; Naumov, R. N.; Kanunnikov, K. B.; Dobrynin, A. B.; Gómez-Ruiz, S; Lönnecke, P; Hey-Hawkins, E; Karasik, A. A.; Sinyashin, O. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 16977 - 16984
• a: 9.601 ± 0.007 Å
• b: 33.967 ± 0.015 Å
• c: 13.081 ± 0.004 Å
• α: 90°
• β: 109.79 ± 0.04°
• γ: 90°
• Cell volume: 4014 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No