Information card for entry 7153234

Structure parameters

• Formula: C21 H26 Cl N O2 S
• Calculated formula: C21 H26 Cl N O2 S
• Title of publication: A detailed investigation of the aza-Prins reaction.
• Authors of publication: Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1064 - 1080
• a: 24.2931 ± 0.0008 Å
• b: 11.7455 ± 0.0003 Å
• c: 14.3281 ± 0.0004 Å
• α: 90°
• β: 105.602 ± 0.002°
• γ: 90°
• Cell volume: 3937.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No