Information card for entry 4103239

Structure parameters

• Formula: C8 H20 Cl7 I2 S2 Sb
• Calculated formula: C8 H20 Cl7 I2 S2 Sb
• Title of publication: Simple Reagents for Direct Halonium-Induced Polyene Cyclizations
• Authors of publication: Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14303 - 14314
• a: 11.3702 ± 0.0008 Å
• b: 15.5446 ± 0.001 Å
• c: 15.5823 ± 0.001 Å
• α: 119.103 ± 0.001°
• β: 90.465 ± 0.001°
• γ: 91.236 ± 0.001°
• Cell volume: 2405.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No