Information card for entry 4030933

Structure parameters

• Formula: C26 H28 N O2 P
• Calculated formula: C26 H28 N O2 P
• SMILES: P1(Oc2c3CCc4cc(c(CCc(c2)cc3)cc4)c2ccccc2O1)N(CC)CC
• Title of publication: [2.2]paracyclophane-derived monodentate phosphoramidite ligands for copper-catalyzed asymmetric conjugate addition of diethylzinc to substituted chalcones.
• Authors of publication: Han, Lei; Lei, Yang; Xing, Ping; Zhao, Xiao-Long; Jiang, Biao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 8
• Pages of publication: 3752 - 3757
• a: 18.2934 ± 0.0018 Å
• b: 8.0986 ± 0.0008 Å
• c: 15.5225 ± 0.0015 Å
• α: 90°
• β: 108.665 ± 0.002°
• γ: 90°
• Cell volume: 2178.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No