Information card for entry 8106730

Structure parameters

• Formula: C26 H22 N2 O4
• Calculated formula: C26 H22 N2 O4
• SMILES: O(/N=C(\C)c1ccc(/N=C/c2c(O)ccc3c2oc(=O)cc3C)cc1)Cc1ccccc1
• Title of publication: Crystal structure of 8-((E)-((4-((E)-1-((benzyloxy)imino)ethyl)phenyl)imino)methyl)-7-hydroxy-4-methyl-2H-chromen-2-one, C26H22N2O4
• Authors of publication: Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 943 - 945
• a: 8.035 ± 0.003 Å
• b: 10.387 ± 0.004 Å
• c: 13.126 ± 0.005 Å
• α: 83.831 ± 0.01°
• β: 78.214 ± 0.01°
• γ: 81.47 ± 0.01°
• Cell volume: 1057.2 ± 0.7 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: 0.1048
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No