Information card for entry 7153666

Structure parameters

• Formula: C10 H10 Cl2
• Calculated formula: C10 H10 Cl2
• SMILES: Cl[C@H]1[C@H](Cl)CCc2ccccc12
• Title of publication: Reactions of enantiopure cyclic diols with sulfuryl chloride.
• Authors of publication: Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 2128 - 2136
• a: 7.4192 ± 0.0004 Å
• b: 7.6708 ± 0.0004 Å
• c: 8.1477 ± 0.0005 Å
• α: 90°
• β: 101.304 ± 0.005°
• γ: 90°
• Cell volume: 454.7 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No