Information card for entry 8105131

Structure parameters

• Formula: C35 H32 N4 O7
• Calculated formula: C35 H32 N4 O7
• SMILES: c1(ccc2ccccc2c1/C=N/OCCO/N=C/c1cc(cc(c1O)/C=N/OCCO/N=C/c1c(ccc2ccccc12)O)C)O
• Title of publication: Synthesis and crystal structure of (1E,3E)-2-hydroxy-5-methylisophthalaldehyde O,O-di(2-((((E)-(2-hydroxynaphthalen-1-yl)methylene)amino)oxy)ethyl) dioxime, C35H32N4O7
• Authors of publication: Pan, Ying-Qi; Yu, Meng; Zhang, Yu; Dong, Wen-Kui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 429 - 431
• a: 9.3625 ± 0.0006 Å
• b: 12.7558 ± 0.0007 Å
• c: 14.5965 ± 0.0009 Å
• α: 68.833 ± 0.002°
• β: 80.891 ± 0.002°
• γ: 69.242 ± 0.002°
• Cell volume: 1519.15 ± 0.16 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: 0.0683
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No