Information card for entry 7108360

Structure parameters

• Formula: C17 H18 N2 O2
• Calculated formula: C17 H18 N2 O2
• SMILES: c1cc(cc2c1C(=O)c1ccc(cc1O2)N(C)C)N(C)C
• Title of publication: Synthesis of new cyclic aromatic carbene ligands bearing remote amino groups and their palladium(II) complexes
• Authors of publication: Shun Sugawara; Satoshi Kojima; Yohsuke Yamamoto
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9735
• a: 12.1248 ± 0.001 Å
• b: 8.8762 ± 0.0008 Å
• c: 13.906 ± 0.0012 Å
• α: 90°
• β: 107.207 ± 0.002°
• γ: 90°
• Cell volume: 1429.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No