Information card for entry 7063347

Structure parameters

• Chemical name: N-(1-(Bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)trifluoromethanesulfonamide
• Formula: C11 H17 Br F3 N O2 S
• Calculated formula: C11 H17 Br F3 N O2 S
• Title of publication: Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization
• Authors of publication: Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 13506 - 13513
• a: 7.6458 ± 0.0008 Å
• b: 8.4634 ± 0.001 Å
• c: 11.3756 ± 0.0008 Å
• α: 75.804 ± 0.008°
• β: 81.317 ± 0.007°
• γ: 85.101 ± 0.009°
• Cell volume: 704.55 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No