Information card for entry 1558871

Structure parameters

• Formula: C36 H66 O12 Pd3
• Calculated formula: C36 H66 O12 Pd3
• SMILES: [Pd]123[O]=C(CC(C)(C)C)O[Pd]4([O]=C(CC(C)(C)C)O[Pd]([O]=C(O3)CC(C)(C)C)([O]=C(O4)CC(C)(C)C)OC(CC(C)(C)C)=[O]1)[O]=C(O2)CC(C)(C)C
• Title of publication: A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity
• Authors of publication: Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.4234 ± 0.0004 Å
• b: 12.9659 ± 0.0005 Å
• c: 15.7183 ± 0.0006 Å
• α: 90.714 ± 0.003°
• β: 97.035 ± 0.003°
• γ: 107.564 ± 0.004°
• Cell volume: 2199.86 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0437
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No