Information card for entry 7152345

Structure parameters

• Formula: C18 H18 Br N O3 S
• Calculated formula: C18 H18 Br N O3 S
• Title of publication: Gold(i)-catalyzed intramolecular hydroamination and ring-opening of sulfonamide-substituted 2-(arylmethylene)cyclopropylcarbinols.
• Authors of publication: Zhang, Di-Han; Du, Kang; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 3763 - 3766
• a: 11.486 ± 0.0017 Å
• b: 7.4766 ± 0.0011 Å
• c: 20.639 ± 0.003 Å
• α: 90°
• β: 95.97 ± 0.003°
• γ: 90°
• Cell volume: 1762.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No