Information card for entry 7708829

Structure parameters

• Formula: C35 H55 N O4
• Calculated formula: C35 H55 N O4
• SMILES: Oc1c(CN([C@H](C(=O)OCC)C)Cc2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts
• Authors of publication: Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.0824 ± 0.0001 Å
• b: 11.7694 ± 0.0002 Å
• c: 31.5208 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3369.4 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No