Information card for entry 7064319

Structure parameters

• Chemical name: N-(9-iodo-4,4,8-trimethyltricyclo[6.3.1.0^2,5]dodecan-1-yl)-N'-((trifluoromethyl)sulfonyl)acetimidamide
• Formula: C18 H28 F3 I N2 O2 S
• Calculated formula: C18 H28 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: 7.2852 ± 0.0009 Å
• b: 16.239 ± 0.002 Å
• c: 18.497 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2188.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No