Information card for entry 1502517

Structure parameters

• Formula: C21 H24 O5
• Calculated formula: C21 H24 O5
• SMILES: O=C1CC[C@H]2C(C=C([C@@H]12)Cc1ccccc1)(C(=O)OCC)C(=O)OCC.O=C1CC[C@@H]2C(C=C([C@H]12)Cc1ccccc1)(C(=O)OCC)C(=O)OCC
• 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: 6.004 ± 0.004 Å
• b: 11.472 ± 0.007 Å
• c: 14.442 ± 0.009 Å
• α: 106.29 ± 0.009°
• β: 96.565 ± 0.009°
• γ: 97.311 ± 0.009°
• Cell volume: 935.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No