Information card for entry 7100227

Structure parameters

• Formula: C43 H58 N5 O4
• Calculated formula: C43 H58 N5 O4
• SMILES: N(c1ccccc1)C(=O)Nc1ccccc1NC(=O)Nc1ccccc1.[O-]C(=O)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Carboxylate complexation by 1,1'-(1,2-phenylene)bis(3-phenylurea) in solution and the solid state
• Authors of publication: Mark E. Light; Simon J. Brooks; Philip Gale
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.478 ± 0.002 Å
• b: 38.654 ± 0.01 Å
• c: 24.402 ± 0.007 Å
• α: 90°
• β: 93.68 ± 0.03°
• γ: 90°
• Cell volume: 7980 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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