Information card for entry 2221385

Structure parameters

• Chemical name: 2-Chloromethyl-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine
• Formula: C7 H7 Cl O2 S
• Calculated formula: C7 H7 Cl O2 S
• SMILES: ClCC1Oc2c(OC1)csc2
• Title of publication: 2-Chloromethyl-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine
• Authors of publication: Xu, Jian; Xu, Hao; Quan, Ji-cai; Sha, Fei; Yao, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o668
• a: 10.227 ± 0.002 Å
• b: 5.75 ± 0.0012 Å
• c: 14.376 ± 0.003 Å
• α: 90°
• β: 105.55 ± 0.03°
• γ: 90°
• Cell volume: 814.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes