Information card for entry 7005581

Structure parameters

• Formula: C50 H73 N O5 P2
• Calculated formula: C50 H73 N O5 P2
• SMILES: P(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)N(P(=O)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Unusual reactivity of a sterically hindered diphosphazane ligand, EtN{P(OR)(2)}(2), (R = C(6)H(3)(Pr(I))(2)-2,6) towards (eta(3)-allyl)palladium precursors.
• Authors of publication: Krishna, Heera; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam; Murugavel, Ramaswamy; Prabusankar, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2908 - 2914
• a: 13.465 ± 0.007 Å
• b: 14.582 ± 0.008 Å
• c: 15.016 ± 0.008 Å
• α: 68.274 ± 0.009°
• β: 70.498 ± 0.008°
• γ: 74.301 ± 0.009°
• Cell volume: 2545 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No