Information card for entry 1516614

Structure parameters

• Formula: C25 H29 N O2
• Calculated formula: C25 H29 N O2
• SMILES: N([C@@]([C@@H]1C=C([C@H]2C([C@@H]1C2)(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: 8.464 ± 0.002 Å
• b: 25.375 ± 0.004 Å
• c: 10.154 ± 0.002 Å
• α: 90°
• β: 90.42 ± 0.02°
• γ: 90°
• Cell volume: 2180.8 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No