Information card for entry 1516617

Structure parameters

• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• SMILES: COC(=O)[C@@](c1ccccc1)([C@H]1C=CCC=CCC1)Nc1ccccc1.COC(=O)[C@](c1ccccc1)([C@@H]1C=CCC=CCC1)Nc1ccccc1
• 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: 17.47 ± 0.002 Å
• b: 11.704 ± 0.002 Å
• c: 18.731 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3829.9 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.1715
• Weighted residual factors for significantly intense reflections: 0.135
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No