Information card for entry 4030725

Structure parameters

• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• SMILES: O=C(N[C@H](c1ccccc1)C)[C@](NC(=O)C)(Cc1ccccc1)C(=O)OC(C)(C)C
• Title of publication: Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates.
• Authors of publication: Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 3270 - 3279
• a: 8.077 ± 0.0005 Å
• b: 10.5732 ± 0.0008 Å
• c: 26.8277 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2291.1 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No