Information card for entry 1513434

Structure parameters

• Formula: C24 H18 N2 O4
• Calculated formula: C24 H18 N2 O4
• SMILES: O=n1ccccc1NC(=O)c1c(Oc2ccccc2)cccc1Oc1ccccc1
• Title of publication: Copper-mediated direct aryloxylation of benzamides assisted by an n,o-bidentate directing group.
• Authors of publication: Hao, Xin-Qi; Chen, Li-Juan; Ren, Baozeng; Li, Liu-Yan; Yang, Xin-Yan; Gong, Jun-Fang; Niu, Jun-Long; Song, Mao-Ping
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1104 - 1107
• a: 7.2876 ± 0.0007 Å
• b: 12.0282 ± 0.0012 Å
• c: 12.8131 ± 0.0019 Å
• α: 115.87 ± 0.012°
• β: 93.712 ± 0.01°
• γ: 98.655 ± 0.008°
• Cell volume: 988.3 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0789
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No