Information card for entry 7034209

Structure parameters

• Formula: C37 H51 N5 O
• Calculated formula: C37 H51 N5 O
• SMILES: CC(C)c1cccc(c1/N=C/c1ccc(CN(C)Cc2ccc(/C=N/c3c(cccc3C(C)C)C(C)C)[nH]2)[nH]1)C(C)C.O
• Title of publication: Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.
• Authors of publication: Kumar, Rajnish; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6896 - 6908
• a: 10.429 ± 0.004 Å
• b: 13.208 ± 0.005 Å
• c: 14.228 ± 0.005 Å
• α: 71.233 ± 0.011°
• β: 84.201 ± 0.011°
• γ: 76.698 ± 0.011°
• Cell volume: 1805.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1863
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No