Information card for entry 7131627

Structure parameters

• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• Title of publication: Functionalization of arylacetic acids <i>via</i> directing-group-assisted remote <i>meta</i>-C-H activation.
• Authors of publication: Srinivas, Dasari; Mounika, Kurella; Satyanarayana, Gedu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 46
• Pages of publication: 7084 - 7087
• a: 8.8205 ± 0.0004 Å
• b: 18.733 ± 0.0011 Å
• c: 19.9045 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3288.9 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 3
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No