Information card for entry 7107862

Structure parameters

• Formula: C31 H31 Cl6 I O3 S
• Calculated formula: C31 H31 Cl6 I O3 S
• Title of publication: Congested C2-symmetric aryliodanes based on an anti-dimethanoanthracene backbone
• Authors of publication: Stephen J. Murray; Helge Muller-Bunz; Hasim Ibrahim
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6268
• a: 11.4318 ± 0.0009 Å
• b: 11.7919 ± 0.0009 Å
• c: 13.353 ± 0.001 Å
• α: 80.086 ± 0.002°
• β: 76.784 ± 0.002°
• γ: 89.133 ± 0.002°
• Cell volume: 1725.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No