Information card for entry 4020204

Structure parameters

• Formula: C20 H23 N3 O7
• Calculated formula: C20 H23 N3 O7
• SMILES: O=C(Nc1c(c(n(NC(=O)OCC)c1C(=O)OC)C)C(=O)OCC)c1ccccc1
• Authors of publication: Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4307 - 4313
• a: 10.8538 ± 0.0002 Å
• b: 11.2617 ± 0.0002 Å
• c: 18.0806 ± 0.0003 Å
• α: 84.9176 ± 0.0008°
• β: 86.9092 ± 0.0007°
• γ: 73.4702 ± 0.0007°
• Cell volume: 2109.41 ± 0.06 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No