Information card for entry 1516616

Structure parameters

• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: N([C@]([C@H](/C=C/C)C)(c1ccccc1)C(=O)OC)c1ccccc1.N([C@@]([C@@H](/C=C/C)C)(c1ccccc1)C(=O)OC)c1ccccc1
• Title of publication: Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide
• Authors of publication: Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2002
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 696 - 703
• a: 9.801 ± 0.001 Å
• b: 17.753 ± 0.003 Å
• c: 10.068 ± 0.001 Å
• α: 90°
• β: 91.02 ± 0.01°
• γ: 90°
• Cell volume: 1751.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No