Information card for entry 7031505

Structure parameters

• Formula: C68 H96 N4 O2 P4
• Calculated formula: C68 H96 N4 O2 P4
• Title of publication: Alternating stereoselective self-assembly of SSSS/RRRR or RSSR isomers of tetrakisphosphines in the row of 14-, 16-, 18- and 20-membered macrocycles.
• Authors of publication: Naumov, Roman N.; Musina, Elvira I.; Kanunnikov, Kirill B.; Fesenko, Tatiana I.; Krivolapov, Dmitry B.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12784 - 12789
• a: 32.6565 ± 0.0013 Å
• b: 12.9533 ± 0.0004 Å
• c: 16.2958 ± 0.0005 Å
• α: 90°
• β: 105.974 ± 0.003°
• γ: 90°
• Cell volume: 6627.1 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.1134
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No