Information card for entry 7100881

Structure parameters

• Formula: C26 H28 N6 O6
• Calculated formula: C26 H28 N6 O6
• SMILES: c1(ccc(cc1)Cn1cccn1)C(=O)N.C(=O)(CCC(=O)O)O.c1(ccc(cc1)Cn1cccn1)C(=O)N
• 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: 9.5363 ± 0.0009 Å
• b: 7.3143 ± 0.0006 Å
• c: 17.658 ± 0.0015 Å
• α: 90°
• β: 96.13 ± 0.007°
• γ: 90°
• Cell volume: 1224.63 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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