Information card for entry 7107861

Structure parameters

• Formula: C16 H19 I O3
• Calculated formula: C16 H19 I O3
• 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: 8.6625 ± 0.0002 Å
• b: 13.8534 ± 0.0003 Å
• c: 11.4816 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377.85 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No