Information card for entry 7158500

Structure parameters

• Common name: SCM2105
• Formula: C36 H52 Cl3 N2 O P Pd
• Calculated formula: C36 H52 Cl3 N2 O P Pd
• SMILES: [P]1([Pd]([O]=C(N(C(C)C)C(C)C)c2n(c3c(c12)cccc3)C)(Cl)c1ccccc1C)(C1CCCCC1)C1CCCCC1.ClCCl
• Title of publication: An indole-amide-based phosphine ligand enabling a general palladium-catalyzed sterically hindered Suzuki-Miyaura cross-coupling reaction.
• Authors of publication: Ng, Shan Shan; Chen, Zicong; Yuen, On Ying; So, Chau Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 1373 - 1378
• a: 11.0002 ± 0.0005 Å
• b: 12.8129 ± 0.0005 Å
• c: 14.2811 ± 0.0006 Å
• α: 93.8303 ± 0.0014°
• β: 97.7328 ± 0.0014°
• γ: 110.112 ± 0.0013°
• Cell volume: 1859.03 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No