Information card for entry 4119190

Structure parameters

• Formula: C18 H19 I O7
• Calculated formula: C18 H19 I O7
• Title of publication: Total Synthesis of (\±)-Bisabosqual A
• Authors of publication: Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 582 - 585
• a: 13.4295 ± 0.0004 Å
• b: 15.0649 ± 0.0004 Å
• c: 9.8384 ± 0.0003 Å
• α: 90°
• β: 104.678 ± 0.002°
• γ: 90°
• Cell volume: 1925.49 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No