Information card for entry 7152913

Structure parameters

• Formula: C13 H11 Cl3 O4
• Calculated formula: C13 H11 Cl3 O4
• Title of publication: Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.
• Authors of publication: Harris, Benjamin; Savage, G. Paul; White, Jonathan M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 3151 - 3158
• a: 5.7385 ± 0.0004 Å
• b: 10.3221 ± 0.0007 Å
• c: 13.5698 ± 0.0009 Å
• α: 111.374 ± 0.006°
• β: 92.266 ± 0.005°
• γ: 102.902 ± 0.006°
• Cell volume: 723.1 ± 0.09 ų
• Cell temperature: 130 ± 0.2 K
• Ambient diffraction temperature: 130 ± 0.2 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: 0.0578
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No