Information card for entry 1517664

Structure parameters

• Formula: C27 H45 Cl O
• Calculated formula: C27 H45 Cl O
• Title of publication: Direct Conversion of Alcohols to α-Chloro Aldehydes and α-Chloro Ketones.
• Authors of publication: Jing, Yuanyuan; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4932 - 4935
• a: 62.156 ± 0.003 Å
• b: 6.5176 ± 0.0003 Å
• c: 18.9764 ± 0.0008 Å
• α: 90°
• β: 101.552 ± 0.003°
• γ: 90°
• Cell volume: 7531.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No