Information card for entry 4000134

Structure parameters

• Formula: C24 H21 N O6
• Calculated formula: C48 H42 N2 O12
• SMILES: COC(=O)c1ccccc1N(c1ccccc1C(=O)OC)c1ccccc1C(=O)OC
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 8.2076 ± 0.0008 Å
• b: 8.8702 ± 0.0008 Å
• c: 15.687 ± 0.002 Å
• α: 102.006 ± 0.004°
• β: 91.049 ± 0.003°
• γ: 103.99 ± 0.01°
• Cell volume: 1081.1 ± 0.2 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No