Information card for entry 4024933

Structure parameters

• Formula: C20.5 H20 Cl N O3 S
• Calculated formula: C20.5 H20 Cl N O3 S
• Title of publication: Au(I)-Catalyzed Cycloisomerization Reaction of Amide- or Ester-Tethered 1,6-Enynes to Bicyclo[3.2.0]hept-6-en-2-ones
• Authors of publication: Young Tak Lee; Youn Kyung Kang; Young Keun Chung
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7922 - 7934
• a: 26.8036 ± 0.0007 Å
• b: 6.1821 ± 0.0002 Å
• c: 24.8527 ± 0.0008 Å
• α: 90°
• β: 110.146 ± 0.002°
• γ: 90°
• Cell volume: 3866.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No