Information card for entry 1554366

Structure parameters

• Chemical name: 2-(methylsulfonyl)-8-phenyl-2,8-dihydroindeno[1,2-c]pyrrole
• Formula: C18 H15 N O2 S
• Calculated formula: C18 H15 N O2 S
• SMILES: S(=O)(=O)(n1cc2c(c3c(C2c2ccccc2)cccc3)c1)C
• Title of publication: Gold-catalyzed cascade cyclization of N-propargyl ynamides: rapid access to functionalized indeno[1,2-c]pyrroles
• Authors of publication: Shen, Wen-Bo; Zhou, Bo; Zhang, Zhi-Xin; Yuan, Han; Fang, Wei; Ye, Long-Wu
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2468
• a: 18.6922 ± 0.0009 Å
• b: 5.447 ± 0.0003 Å
• c: 14.5323 ± 0.0007 Å
• α: 90°
• β: 92.936 ± 0.004°
• γ: 90°
• Cell volume: 1477.68 ± 0.13 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No