Information card for entry 7132424

Structure parameters

• Formula: C24 H21 Cl N2 O2 S
• Calculated formula: C24 H21 Cl N2 O2 S
• SMILES: [Cl-].S(=O)(=O)(n1c2cc3ccc(cc3[n+](c2c2c1cccc2)C)C)c1ccc(cc1)C
• Title of publication: Intramolecular trapping of an iminium salt: rapid construction of quindoline derivatives.
• Authors of publication: Zhou, Pan; Wu, Senhui; Niu, Kaikai; Song, Hongjian; Liu, Yuxiu; Zhang, Jingjing; Wang, Qingmin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 292 - 295
• a: 24.2953 ± 0.0006 Å
• b: 24.2953 ± 0.0006 Å
• c: 16.7274 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9873.5 ± 0.6 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No