Information card for entry 7034121

Structure parameters

• Formula: C22 H22 N2 O
• Calculated formula: C22 H22 N2 O
• SMILES: Oc1ccccc1c1nc(ccc1)C(=N\c1ccc(cc1)C(C)C)\C
• Title of publication: O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.
• Authors of publication: Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6040 - 6051
• a: 7.6425 ± 0.0019 Å
• b: 11.027 ± 0.003 Å
• c: 20.59 ± 0.005 Å
• α: 90°
• β: 93.528 ± 0.005°
• γ: 90°
• Cell volume: 1731.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No