Information card for entry 4020203

Structure parameters

• Formula: C18 H19 N3 O7
• Calculated formula: C18 H19 N3 O7
• SMILES: O1[C@@H]2N(NC(=O)OC)C(=C([C@@]2(N=C1c1ccccc1)C(=O)OC)C(=O)OC)C.O1[C@H]2N(NC(=O)OC)C(=C([C@]2(N=C1c1ccccc1)C(=O)OC)C(=O)OC)C
• 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: 7.8536 ± 0.0001 Å
• b: 12.4334 ± 0.0002 Å
• c: 19.9054 ± 0.0004 Å
• α: 90°
• β: 96.84 ± 0.001°
• γ: 90°
• Cell volume: 1929.87 ± 0.06 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No