Information card for entry 4033542

Structure parameters

• Formula: C26 H21 N O2 S
• Calculated formula: C26 H21 N O2 S
• SMILES: S(=O)(=O)(N1/C(=C\c2ccc(cc2)C)c2c3c1cccc3ccc2)c1ccc(cc1)C
• Title of publication: Silver-Catalyzed Stereoselective Cyclization to Polysubstituted ( Z)-1,2-Dihydrobenzo[ cd]indoles.
• Authors of publication: Wang, Qiqi; Zhang, Lianpeng; Yao, Jinzhong; Qiu, Guanyinsheng; Li, Xiaofang; Zhou, Hongwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 4092 - 4098
• a: 9.9548 ± 0.0005 Å
• b: 11.4972 ± 0.0006 Å
• c: 20.4597 ± 0.0009 Å
• α: 82.019 ± 0.004°
• β: 77.797 ± 0.004°
• γ: 70.07 ± 0.005°
• Cell volume: 2146 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No