Information card for entry 1100289

Structure parameters

• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: CN1[C@@H](C)[C@H](OC(=O)/C(=C\c2ccccc2)C1=O)c1ccccc1
• Title of publication: Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds
• Authors of publication: Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1987
• Journal volume: 109
• Journal issue: 3
• Pages of publication: 921 - 923
• a: 9.191 ± 0.001 Å
• b: 16.567 ± 0.002 Å
• c: 11.465 ± 0.004 Å
• α: 90°
• β: 101.93 ± 0.02°
• γ: 90°
• Cell volume: 1708.04 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No