Information card for entry 2237352

Structure parameters

• Chemical name: [(1<i>R</i>,3<i>S</i>)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol
• Formula: C5 H8 Cl2 O2
• Calculated formula: C5 H8 Cl2 O2
• SMILES: ClC1(Cl)[C@H](CO)[C@@H]1CO
• Title of publication: [(1<i>R</i>,3<i>S</i>)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol
• Authors of publication: Kailani, Mohammed H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o225
• a: 6.311 ± 0.0013 Å
• b: 15.429 ± 0.003 Å
• c: 15.433 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes