Information card for entry 7004526

Structure parameters

• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• SMILES: O(c1c(c(ccc1)C)c1c(/N=C/c2[nH]ccc2)cccc1C)C
• Title of publication: Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands
• Authors of publication: Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5930 - 5944
• a: 7.9931 ± 0.0008 Å
• b: 18.73 ± 0.002 Å
• c: 11.5194 ± 0.0013 Å
• α: 90°
• β: 99.603 ± 0.002°
• γ: 90°
• Cell volume: 1700.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No