Information card for entry 1100284

Structure parameters

• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: C1(=O)N(C(=O)N(C2OC[C@@H]3COc4ccccc4[C@@H]3C1=2)C)C
• Title of publication: Stereochemistry of a hetero-Diels-Alder product
• Authors of publication: Harms, K.; Sheldrick, G. M.; Tietze, L.-F.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1986
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 1664 - 1665
• a: 7.779 ± 0.006 Å
• b: 9.332 ± 0.003 Å
• c: 19.627 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1424.8 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No