Information card for entry 1503376

Structure parameters

• Formula: C22 H18 Au Cl N O2 P
• Calculated formula: C22 H18 Au Cl N O2 P
• SMILES: [Au](Cl)[P]1(Oc2ccc3ccccc3c2c2c3ccccc3ccc2O1)N(C)C
• 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: 7.3489 ± 0.0009 Å
• b: 15.339 ± 0.002 Å
• c: 9.154 ± 0.001 Å
• α: 90°
• β: 98.337 ± 0.003°
• γ: 90°
• Cell volume: 1021 ± 0.2 ų
• Cell temperature: 163.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No