Information card for entry 1518306

Structure parameters

• Formula: C20 H22 Cl2 N2 O7 S
• Calculated formula: C20 H22 Cl2 N2 O7 S
• Title of publication: Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.
• Authors of publication: Baumann, Marcus; Baxendale, Ian R.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6076
• a: 7.86783 ± 0.00013 Å
• b: 16.1933 ± 0.0003 Å
• c: 18.4016 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2344.48 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No