Information card for entry 4020314

Structure parameters

• Formula: C24 H22 N2 O6
• Calculated formula: C24 H22 N2 O6
• SMILES: O=C1N(O[C@H]2CCCCCC[C@H]2ON2C(=O)c3ccccc3C2=O)C(=O)c2c1cccc2
• Authors of publication: Sergiu Coseri; G. David Mendenhall; K. U. Ingold
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4629 - 4636
• a: 10.7023 ± 0.0004 Å
• b: 5.7153 ± 0.0002 Å
• c: 17.0466 ± 0.0006 Å
• α: 90°
• β: 102.982 ± 0.001°
• γ: 90°
• Cell volume: 1016.04 ± 0.06 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No