Information card for entry 2203495

Structure parameters

• Chemical name: N,N'-Bis(2-carboxyethyl)-1,4,5,8-naphthalenetetracarboxylic diimine dimethylformamide disolvate
• Formula: C26 H28 N4 O10
• Calculated formula: C26 H28 N4 O10
• SMILES: OC(=O)CCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCC(=O)O.O=CN(C)C.O=CN(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-carboxyethyl)-1,4,5,8-naphthalenetetracarboxylic diimine dimethylformamide disolvate
• Authors of publication: Fallon, Gary D.; Langford, Steven J.; Lee, Marcia A.-P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o542 - o543
• a: 4.9519 ± 0.0001 Å
• b: 10.8758 ± 0.0002 Å
• c: 12.9078 ± 0.0003 Å
• α: 111.985 ± 0.001°
• β: 95.578 ± 0.001°
• γ: 94.095 ± 0.001°
• Cell volume: 637.17 ± 0.02 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes