Information card for entry 7120038

Structure parameters

• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: O=C(C)C(=N\Nc1ccccc1)/C(=O)OCC=C
• Title of publication: Lanthanide separation using size-selective crystallization of Ln-MOFs
• Authors of publication: Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.7022 ± 0.0012 Å
• b: 8.7472 ± 0.0012 Å
• c: 9.3558 ± 0.0013 Å
• α: 107.09 ± 0.002°
• β: 109.747 ± 0.002°
• γ: 94.64 ± 0.003°
• Cell volume: 627.7 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.217
• Residual factor for significantly intense reflections: 0.2042
• Weighted residual factors for significantly intense reflections: 0.6328
• Weighted residual factors for all reflections included in the refinement: 0.6554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No