Information card for entry 7150516

Structure parameters

• Formula: C17 H23 N O2 S
• Calculated formula: C17 H23 N O2 S
• Title of publication: Substrate control of stereoselection in the rhodium(i) catalyzed intramolecular [4 + 2] cycloaddition reactionElectronic supplementary information (ESI) available: experimental procedures and spectroscopic data for compounds 4a?d and 6a?c. See http://www.rsc.org/suppdata/ob/b3/b302426c/
• Authors of publication: O'Mahony, Donogh J. R.; Belanger, David B.; Livinghouse, Tom
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 12
• Pages of publication: 2038
• a: 26.112 ± 0.003 Å
• b: 9.913 ± 0.001 Å
• c: 16.461 ± 0.002 Å
• α: 90°
• β: 127.628 ± 0.006°
• γ: 90°
• Cell volume: 3374.6 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No