Information card for entry 4034480

Structure parameters

• Formula: C26 H22 O2 S
• Calculated formula: C26 H22 O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)[C@@H]1[C@H](c2c3ccccc3ccc2C1)c1ccccc1.S(=O)(=O)(c1ccc(cc1)C)[C@H]1[C@@H](c2c3ccccc3ccc2C1)c1ccccc1
• Title of publication: Synthesis of 2-Sulfonyl Indenes and Indanes.
• Authors of publication: Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 18
• Pages of publication: 11699 - 11723
• a: 7.1922 ± 0.0006 Å
• b: 8.1888 ± 0.0007 Å
• c: 17.2964 ± 0.0015 Å
• α: 82.23 ± 0.004°
• β: 87.95 ± 0.005°
• γ: 87.46 ± 0.004°
• Cell volume: 1007.88 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No