Information card for entry 4100390

Structure parameters

• Formula: C23 H25 N3 O6
• Calculated formula: C23 H25 N3 O6
• SMILES: O=C1N(C(=O)[C@@H]2C[C@@]34[C@@H]5C(=O)N(C(=O)[C@@H]5CC=C3C[C@H]3C(=O)N(C(=O)[C@H]3[C@H]4C[C@H]12)C)C)C.O=C1N(C(=O)[C@H]2C[C@]34[C@H]5C(=O)N(C(=O)[C@H]5CC=C3C[C@@H]3C(=O)N(C(=O)[C@@H]3[C@@H]4C[C@@H]12)C)C)C
• Title of publication: Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene
• Authors of publication: Michael S. Sherburn; Alan D. Payne; Anthony C. Willis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.9338 ± 0.0002 Å
• b: 26.1144 ± 0.0004 Å
• c: 7.9396 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2059.65 ± 0.06 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No