Information card for entry 1502519

Structure parameters

• Formula: C33 H53 Au Cl P
• Calculated formula: C33 H53 Au Cl P
• SMILES: [Au](Cl)[P](C(C)(C)C)(C(C)(C)C)c1c(c(c(c(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)C)C)C
• Title of publication: Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.
• Authors of publication: Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5580 - 5583
• a: 12.5736 ± 0.0007 Å
• b: 15.875 ± 0.0008 Å
• c: 16.524 ± 0.0008 Å
• α: 90°
• β: 94.695 ± 0.002°
• γ: 90°
• Cell volume: 3287.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No