Information card for entry 7130957

Structure parameters

• Formula: C17 H12 N2 O5 S
• Calculated formula: C17 H12 N2 O5 S
• Title of publication: Visible-light-promoted iron-catalyzed C-H functionalization of 1,4-naphthoquinones <i>via</i> oxidative coupling with sulfoximines.
• Authors of publication: Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, ?; Sawant, Sanghapal D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 80
• Pages of publication: 11312 - 11315
• a: 11.173 ± 0.003 Å
• b: 5.3337 ± 0.0015 Å
• c: 25.755 ± 0.007 Å
• α: 90°
• β: 95.565 ± 0.01°
• γ: 90°
• Cell volume: 1527.6 ± 0.7 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 5
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No