Information card for entry 1554894

Structure parameters

• Chemical name: (5R)-2,5-dichlorohexane-1,3-diol
• Formula: C6 H12 Cl2 O2
• Calculated formula: C6 H12 Cl2 O2
• Title of publication: Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.
• Authors of publication: Shemet, Andrej; Sarlah, David; Carreira, Erick M.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1878 - 1881
• a: 4.9886 ± 0.0007 Å
• b: 19.578 ± 0.003 Å
• c: 9.0155 ± 0.0013 Å
• α: 90°
• β: 92.03 ± 0.003°
• γ: 90°
• Cell volume: 880 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No