Information card for entry 1518400

Structure parameters

• Formula: C29 H23 N O2 S
• Calculated formula: C29 H23 N O2 S
• SMILES: S(=O)(=O)(N1CC2=C(c3c(cccc3)C2c2ccccc2)c2c1cccc2)c1ccc(cc1)C
• Title of publication: Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.
• Authors of publication: Yang, Qin; Xu, Tongyu; Yu, Zhengkun
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 6310 - 6313
• a: 25.952 ± 0.002 Å
• b: 10.0751 ± 0.0008 Å
• c: 17.5758 ± 0.0013 Å
• α: 90°
• β: 94.228 ± 0.002°
• γ: 90°
• Cell volume: 4583 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No