Information card for entry 4337450

Structure parameters

• Formula: C24 H29 F N O P Pd
• Calculated formula: C24 H29 F N O P Pd
• SMILES: [Pd]12([P](Cc3ccc4c([n]23)c(O1)ccc4)(C(C)(C)C)C(C)(C)C)c1ccc(cc1)F
• Title of publication: Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.
• Authors of publication: Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 12 - 14
• a: 8.3593 ± 0.0002 Å
• b: 11.5609 ± 0.0004 Å
• c: 11.5879 ± 0.0003 Å
• α: 90.686 ± 0.002°
• β: 98.984 ± 0.002°
• γ: 106.86 ± 0.001°
• Cell volume: 1056.64 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No