Information card for entry 7203930

Structure parameters

• Chemical name: (2S*,9S*)-2-Benzenesulfonyl-12-(toluene-4-sulfonyl)-12-aza- bicyclo[7.2.1]dodeca-1(11)-ene
• Formula: ?
• Calculated formula: C24 H29 N O4 S2
• Title of publication: Formation of medium-size bridged ring systems via ring-closing metathesis of 2,5-disubstituted-2,3-dihydro-1H-pyrroles
• Authors of publication: Bamford, Samantha J.; Goubitz, Kees; van Lingen, Hester L.; Luker, Tim; Schenk, Henk; Hiemstra, Henk
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 345
• a: 8.2243 ± 0.0005 Å
• b: 10.4546 ± 0.0008 Å
• c: 14.535 ± 0.003 Å
• α: 80.443 ± 0.007°
• β: 84.476 ± 0.008°
• γ: 70.578 ± 0.005°
• Cell volume: 1161.1 ± 0.3 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 253 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 0.921
• Goodness-of-fit parameter for significantly intense reflections: 0.937
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No