Information card for entry 7048148

Structure parameters

• Formula: C78 H102 N2 O2 P4
• Calculated formula: C78 H102 N2 O2 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: 11.3719 ± 0.0003 Å
• b: 12.9401 ± 0.0005 Å
• c: 13.1119 ± 0.0005 Å
• α: 105.891 ± 0.003°
• β: 109.761 ± 0.003°
• γ: 90.192 ± 0.003°
• Cell volume: 1736.61 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0964
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No