Information card for entry 1503374

Structure parameters

• Common name: toste06
• Chemical name: toste06
• Formula: C93 H81 Au Cl O9 P
• Calculated formula: C93 H81 Au Cl O9 P
• SMILES: [Au](Cl)[P](Oc1ccc2c(cccc2)c1c1c2ccccc2ccc1OC(=O)C12CC3CC(CC(C1)C3)C2)(Oc1ccc2ccccc2c1c1c2ccccc2ccc1OC(=O)C12CC3CC(CC(C1)C3)C2)Oc1ccc2ccccc2c1c1c2ccccc2ccc1OC(=O)C12CC3CC(CC(C1)C3)C2
• Title of publication: Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.
• Authors of publication: González, Ana Z; Toste, F. Dean
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 200 - 203
• a: 15.923 ± 0.002 Å
• b: 15.923 ± 0.002 Å
• c: 18.741 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4115 ± 1 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No