Information card for entry 7155361

Structure parameters

• Formula: C24 H25 Br O3
• Calculated formula: C24 H25 Br O3
• SMILES: C1=C2[C@@]3([C@](CC1)(CC3)C)O[C@H](c1c(cc(cc21)OC)OC)c1ccc(cc1)Br.C1=C2[C@]3([C@@](CC1)(CC3)C)O[C@@H](c1c(cc(cc21)OC)OC)c1ccc(cc1)Br
• Title of publication: Gold(i)-catalyzed addition of aldehydes to cyclopropylidene bearing 6-aryl-1,5-enynes.
• Authors of publication: Roselli, Christina A.; Gagné, Michel R
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 11261 - 11265
• a: 11.9878 ± 0.0006 Å
• b: 13.1429 ± 0.0007 Å
• c: 14.8309 ± 0.0008 Å
• α: 72.229 ± 0.002°
• β: 86.297 ± 0.002°
• γ: 66.705 ± 0.002°
• Cell volume: 2039.57 ± 0.19 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No