Information card for entry 1508603

Structure parameters

• Formula: C28 H30 N2 O5
• Calculated formula: C28 H30 N2 O5
• SMILES: O(C(=O)[C@H]1NC([C@@H](N(=O)=O)[C@@H]1c1ccc(OC)cc1)(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.
• Authors of publication: Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4410 - 4413
• a: 8.53926 ± 0.00015 Å
• b: 10.9997 ± 0.0002 Å
• c: 27.0467 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.48 ± 0.08 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No