Information card for entry 2211916

Structure parameters

• Chemical name: (Z)-6-Methoxy-4-(2-methoxyimino-2-phenylethoxy)-7-methylisobenzofuran-3(1H)-one
• Formula: C19 H19 N O5
• Calculated formula: C19 H19 N O5
• SMILES: O1Cc2c(C)c(OC)cc(OC/C(=N\OC)c3ccccc3)c2C1=O
• Title of publication: (<i>Z</i>)-6-Methoxy-4-(2-methoxyimino-2-phenylethoxy)-7-methylisobenzofuran-3(1<i>H</i>)-one
• Authors of publication: Pei-Yuan, Yao; Jian-Gong, Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o398 - o399
• a: 9.3964 ± 0.0002 Å
• b: 19.445 ± 0.004 Å
• c: 9.8521 ± 0.0002 Å
• α: 90°
• β: 105.307 ± 0.003°
• γ: 90°
• Cell volume: 1736.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes