Information card for entry 1546467

Structure parameters

• Formula: C26 H20 O
• Calculated formula: C26 H19 O
• SMILES: Oc1c2c3c4c5c6ccccc6ccc5CCc4ccc3CCc2ccc1
• Title of publication: Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.
• Authors of publication: Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3311 - 3314
• a: 9.212 ± 0.003 Å
• b: 14.231 ± 0.005 Å
• c: 13.496 ± 0.004 Å
• α: 90°
• β: 91.5 ± 0.03°
• γ: 90°
• Cell volume: 1768.7 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No