Information card for entry 7100880

Structure parameters

• Formula: C24 H24 N6 O6
• Calculated formula: C24 H24 N6 O6
• SMILES: c1ccn(Cc2ccc(cc2)C(=O)N)n1.C(=O)(C(=O)O)O.c1ccn(Cc2ccc(cc2)C(=O)N)n1
• Title of publication: Balancing supramolecular reagents for reliable formation of co-crystals
• Authors of publication: C. Aakeroy; John Desper; Benjamin M. T. Scott
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 4.2359 ± 0.0008 Å
• b: 49.029 ± 0.009 Å
• c: 5.5087 ± 0.0011 Å
• α: 90°
• β: 92.78 ± 0.004°
• γ: 90°
• Cell volume: 1142.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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