Information card for entry 4038506

Structure parameters

• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• Title of publication: Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.
• Authors of publication: Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 13
• Pages of publication: 8618 - 8626
• a: 8.8161 ± 0.0004 Å
• b: 9.5583 ± 0.0005 Å
• c: 9.7852 ± 0.0004 Å
• α: 70.157 ± 0.002°
• β: 73.487 ± 0.002°
• γ: 68.453 ± 0.002°
• Cell volume: 709.31 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.51 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No