Information card for entry 7064038

Structure parameters

• Chemical name: N-((1S,2R,4R)-1-methyl-4-(prop-1-en-2-yl)-2-((trifluoromethyl)sulfonamido)cyclohexyl)acetamide
• Formula: C13 H21 F3 N2 O3 S
• Calculated formula: C13 H21 F3 N2 O3 S
• Title of publication: Chemo-, regio-, and stereoselective heterocyclization of sulfonamides and d-limonene with solvent interception
• Authors of publication: Moskalik, Mikhail Yu.; Myasnikova, Valentina S.; Astakhova, Vera V.; Borodina, Tatyana N.; Zinchenko, Sergey V.; Shainyan, Bagrat A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 18097 - 18102
• a: 10.8486 ± 0.0008 Å
• b: 10.8486 ± 0.0008 Å
• c: 12.6716 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1291.54 ± 0.18 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No