Information card for entry 7006420

Structure parameters

• Formula: C46 H68 P2
• Calculated formula: C46 H68 P2
• SMILES: P(=C1C(=Pc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C1C1CC1)C1CC1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene.
• Authors of publication: Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 710 - 713
• a: 15.9 ± 0.0004 Å
• b: 24.1687 ± 0.0007 Å
• c: 11.3333 ± 0.0005 Å
• α: 90°
• β: 89.711 ± 0.001°
• γ: 90°
• Cell volume: 4355.1 ± 0.3 ų
• Cell temperature: 140 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.673
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No