Information card for entry 7132411

Structure parameters

• Formula: C19 H18 Cl N O3
• Calculated formula: C19 H18 Cl N O3
• SMILES: Clc1ccc(/C=C/C(=N/OC(c2ccccc2)C(=O)OC)C)cc1
• Title of publication: Synthesis of oxime ethers <i>via</i> a formal reductive O-H bond insertion of oximes to α-keto esters.
• Authors of publication: Takeda, Norihiko; Maeda, Ryoya; Yasui, Motohiro; Ueda, Masafumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 172 - 175
• a: 11.0033 ± 0.0004 Å
• b: 15.9828 ± 0.0005 Å
• c: 19.388 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3409.64 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No