Information card for entry 4112462

Structure parameters

• Chemical name: (R)-2-Chloro-3,3dimethyl-butan-1-ol
• Formula: C6 H13 Cl O
• Calculated formula: C6 H13 Cl O
• Title of publication: direct Organocatalytic Asymmetric α-Chlorination of Aldehydes
• Authors of publication: Nis Halland; Alan Braunton; Stephan Bachmann; Mauro Marigo; Karl Anker Jørgensen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4790 - 4791
• a: 17.826 ± 0.002 Å
• b: 17.826 ± 0.002 Å
• c: 6.193 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1704.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No