Information card for entry 7156802

Structure parameters

• Formula: C11 H10 Cl0 N O S0.1
• Calculated formula: C10 H8.8 N0.8 O0.8 S0.8
• Title of publication: Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.
• Authors of publication: Liu, Caiyan; Shen, Yongli; Yuan, Kedong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5009 - 5013
• a: 12.5619 ± 0.0002 Å
• b: 19.642 ± 0.0004 Å
• c: 9.1574 ± 0.0002 Å
• α: 90°
• β: 100.832 ± 0.002°
• γ: 90°
• Cell volume: 2219.25 ± 0.08 ų
• Cell temperature: 299.83 ± 0.1 K
• Ambient diffraction temperature: 299.83 ± 0.1 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: 0.0599
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No