Information card for entry 7035428

Structure parameters

• Formula: C38 H50 N2 P4
• Calculated formula: C38 H50 N2 P4
• SMILES: C1N(CP(CCP(c2ccccc2)CN(CP(CCP1c1ccccc1)c1ccccc1)C(C)C)c1ccccc1)C(C)C
• Title of publication: Synthesis and unique reversible splitting of 14-membered cyclic aminomethylphosphines on to 7-membered heterocycles.
• Authors of publication: Musina, Elvira I.; Fesenko, Tatiana I.; Strelnik, Igor D.; Polyancev, Fedor M.; Latypov, Shamil K.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13565 - 13572
• a: 21.2485 ± 0.0004 Å
• b: 8.1373 ± 0.0001 Å
• c: 21.7857 ± 0.0004 Å
• α: 90°
• β: 106.726 ± 0.002°
• γ: 90°
• Cell volume: 3607.5 ± 0.11 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: 0.0438
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No