Information card for entry 1553041

Structure parameters

• Formula: C38 H42 Au Cl N O2 P
• Calculated formula: C38 H42 Au Cl N O2 P
• SMILES: [Au]([P]1(Oc2c(c3c4CCCCc4cc(c3O1)C)c1c(CCCC1)cc2C)N([C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)Cl
• Title of publication: Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes
• Authors of publication: Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 221
• a: 8.893 ± 0.0002 Å
• b: 20.6873 ± 0.0004 Å
• c: 9.7453 ± 0.0002 Å
• α: 90°
• β: 105.318 ± 0.001°
• γ: 90°
• Cell volume: 1729.17 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No