Information card for entry 7706600

Structure parameters

• Formula: C33 H33 N2 O4 P Pd S
• Calculated formula: C33 H33 N2 O4 P Pd S
• SMILES: [Pd]1([P](c2ccccc2OC)(c2ccccc2OC)c2c(S(=O)(=O)N1c1ccccc1)ccc(c2)C)([n]1ccccc1)C
• Title of publication: Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization.
• Authors of publication: Mote, Nilesh R.; Gaikwad, Shahaji R.; Khopade, Kishor V.; Gonnade, Rajesh G.; Chikkali, Samir H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 3717 - 3723
• a: 9.959 ± 0.002 Å
• b: 11.496 ± 0.003 Å
• c: 13.574 ± 0.003 Å
• α: 91.745 ± 0.008°
• β: 100.761 ± 0.008°
• γ: 95.062 ± 0.009°
• Cell volume: 1519 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No