Information card for entry 7061493

Structure parameters

• Formula: C24 H21 Cl2 N3 O2 S
• Calculated formula: C24 H21 Cl2 N3 O2 S
• Title of publication: Direct C–H functionalization of tetrahydro-γ-carbolines at the α-position
• Authors of publication: Zhang, Yahui; Chen, Yi; Guo, Mei; Sun, Ge; Que, Rongbin; Cui, Ranran; Gao, Yu; Chen, Haijun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 9511 - 9514
• a: 11.0746 ± 0.0018 Å
• b: 11.3733 ± 0.0017 Å
• c: 17.772 ± 0.002 Å
• α: 90°
• β: 103.848 ± 0.005°
• γ: 90°
• Cell volume: 2173.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.121
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No