Information card for entry 4021276

Structure parameters

• Common name: mesomorphic phenanthroline derivative
• Formula: C40 H36 N4 O8
• Calculated formula: C40 H36 N4 O8
• SMILES: n1c(ccc2ccc3ccc(nc3c12)COC(=O)c1cc(c(c(c1)NC(=O)c1cc(cc(c1)OC)OC)C)NC(=O)c1cc(cc(c1)OC)OC)C
• Title of publication: A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform
• Authors of publication: Guillaume Pickaert; Michèle Cesario; Raymond Ziessel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5335 - 5341
• a: 8.974 ± 0.002 Å
• b: 12.086 ± 0.002 Å
• c: 17.068 ± 0.003 Å
• α: 68.88 ± 0.05°
• β: 80.04 ± 0.05°
• γ: 79.18 ± 0.05°
• Cell volume: 1684.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No