Information card for entry 4502294

Structure parameters

• Formula: C32 H24 N4 O8
• Calculated formula: C32 H24 N4 O8
• SMILES: c1(c(ccc(c1)C(=O)O)C(=O)O)N1C(=O)c2cc(ccc2C1=O)C(=O)O.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline
• Authors of publication: Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 348
• a: 7.8269 ± 0.0003 Å
• b: 13.0543 ± 0.0005 Å
• c: 15.4327 ± 0.0005 Å
• α: 102.436 ± 0.002°
• β: 100.873 ± 0.003°
• γ: 102.566 ± 0.003°
• Cell volume: 1456.36 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No