Information card for entry 7006419

Structure parameters

• Formula: C24 H38 Br O P
• Calculated formula: C24 H38 Br O P
• SMILES: BrC(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(OC)C1CC1
• 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: 9.9117 ± 0.0005 Å
• b: 13.2871 ± 0.0005 Å
• c: 9.7067 ± 0.0005 Å
• α: 105.593 ± 0.002°
• β: 96.44 ± 0.004°
• γ: 90.888 ± 0.003°
• Cell volume: 1222.14 ± 0.1 ų
• Cell temperature: 133 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 significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No