Information card for entry 7013727

Structure parameters

• Formula: C66 H84 N2 P4
• Calculated formula: C66 H84 N2 P4
• SMILES: C1P(c2c(cc(cc2C)C)C)CN(CP(CCCP(CN(CP(CC1)c1c(cc(cc1C)C)C)Cc1ccccc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cc1ccccc1.c1ccccc1
• Title of publication: Unexpected formation of a novel macrocyclic tetraphosphine: (RSSR)-1,9-dibenzyl-3,7,11,15-tetramesityl-1,9-diaza-3,7,11,15-tetraphosphacyclohexadecane.
• Authors of publication: Naumov, Roman N.; Karasik, Andrey A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 357 - 358
• a: 8.9312 ± 0.0014 Å
• b: 12.909 ± 0.002 Å
• c: 14.848 ± 0.002 Å
• α: 66.741 ± 0.003°
• β: 80.065 ± 0.003°
• γ: 74.491 ± 0.003°
• Cell volume: 1511.1 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No