Information card for entry 4109995

Structure parameters

• Common name: (M)-(-)-helicene-like-molecule
• Formula: C32 H22 O6
• Calculated formula: C32 H22 O6
• SMILES: O1c2ccc3ccccc3c2c2c(C1)c(c(c1c2c2c(OC1)ccc1c2cccc1)C(=O)OC)C(=O)OC
• 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: 12.8633 ± 0.0007 Å
• b: 11.9036 ± 0.0006 Å
• c: 15.9329 ± 0.0008 Å
• α: 90°
• β: 94.89 ± 0.004°
• γ: 90°
• Cell volume: 2430.8 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No