Information card for entry 7159853

Structure parameters

• Formula: C28 H28 Cl N3 O2 S
• Calculated formula: C28 H28 Cl N3 O2 S
• SMILES: S(=O)(=O)(NCCc1c2n(Cc3c(N4C2CCC4)c(Cl)ccc3)c2c1cccc2)c1ccc(cc1)C
• Title of publication: Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.
• Authors of publication: Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 14
• Pages of publication: 2824 - 2834
• a: 9.767 ± 0.0009 Å
• b: 12.1981 ± 0.0012 Å
• c: 12.7598 ± 0.0012 Å
• α: 73.207 ± 0.002°
• β: 83.479 ± 0.004°
• γ: 79.591 ± 0.003°
• Cell volume: 1428.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No