Information card for entry 7245956

Structure parameters

• Formula: C38 H29 N O
• Calculated formula: C38 H29 N O
• SMILES: O(/N=C(/c1ccccc1)c1ccc(c2ccccc2)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Heteropolyacid catalyzed O-alkylation of oximes with alcohols via a carbocation in dimethyl carbonate and mechanism insight
• Authors of publication: Zhuang, Hongfeng; Hou, Qin; Han, Feng; Lv, Haotian; Miao, Chengxia
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 310 - 317
• a: 9.7566 ± 0.001 Å
• b: 23.006 ± 0.002 Å
• c: 13.329 ± 0.0013 Å
• α: 90°
• β: 109.053 ± 0.002°
• γ: 90°
• Cell volume: 2827.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No