Information card for entry 4109994

Structure parameters

• Formula: C32 H22 O6
• Calculated formula: C32 H22 O6
• SMILES: O1c2c(c3c(c(c4c(c3C(=O)OC)COc3c4c4c(cc3)cccc4)C(=O)OC)C1)c1c(cc2)cccc1
• Title of publication: Rh-Catalyzed Synthesis of Helically Chiral and Ladder-Type Molecules via [2 + 2 + 2] and Formal [2 + 1 + 2 + 1] Cycloadditions Involving C-C Triple Bond Cleavage
• Authors of publication: Ken Tanaka; Akiyoshi Kamisawa; Takeshi Suda; Keiichi Noguchi; Masao Hirano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12078 - 12079
• a: 41.62 ± 0.04 Å
• b: 13.645 ± 0.013 Å
• c: 16.763 ± 0.016 Å
• α: 90°
• β: 99.127 ± 0.018°
• γ: 90°
• Cell volume: 9399 ± 16 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No