Information card for entry 7064318

Structure parameters

• Chemical name: N-(6-iodo-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl)-N'-((4-(trifluoromethyl)phenyl)sulfonyl)acetimidamide
• Formula: C24 H32 F3 I N2 O2 S
• Calculated formula: C24 H32 F3 I N2 O2 S
• Title of publication: Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene
• Authors of publication: Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1935 - 1942
• a: 10.5276 ± 0.0011 Å
• b: 11.5823 ± 0.0012 Å
• c: 10.782 ± 0.0012 Å
• α: 90°
• β: 95.162 ± 0.003°
• γ: 90°
• Cell volume: 1309.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No