Information card for entry 4515683

Structure parameters

• Chemical name: 1,3,4-tri(4-tert-butyl-phenyl)-2-methoxy-6-tert-butyl-naphthalene
• Formula: C45 H54 O
• Calculated formula: C45 H54 O
• Title of publication: TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
• Authors of publication: Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6079
• a: 13.048 ± 0.0003 Å
• b: 15.9745 ± 0.0004 Å
• c: 20.3351 ± 0.0005 Å
• α: 69.8393 ± 0.0012°
• β: 74.7061 ± 0.0011°
• γ: 79.3386 ± 0.0011°
• Cell volume: 3817.17 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No