Information card for entry 4084578

Structure parameters

• Formula: C37.17 H43.49 Cl1.83 N3 O0.72 Pd
• Calculated formula: C37.163 H43.489 Cl1.837 N3 O0.721 Pd
• Title of publication: Insertion Reactions on Carbopalladated Benzyne: From Eight- to Nine- and Ten-Membered Palladacycles. Applications to the Synthesis of N-Heterocycles
• Authors of publication: Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6420
• a: 11.3846 ± 0.0011 Å
• b: 11.6512 ± 0.0011 Å
• c: 14.2219 ± 0.0013 Å
• α: 103.563 ± 0.002°
• β: 96.146 ± 0.002°
• γ: 106.521 ± 0.002°
• Cell volume: 1727.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No