Information card for entry 4502289

Structure parameters

• Formula: C34 H28 N4 O8
• Calculated formula: C34 H28 N4 O8
• SMILES: c12c(ccc(C(=O)O)c2c(ccc1C(=O)O)C(=O)O)C(=O)O.n1ccccc1.n1ccccc1.c1cnccc1.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: 7.5238 ± 0.0007 Å
• b: 20.237 ± 0.002 Å
• c: 10.1313 ± 0.0009 Å
• α: 90°
• β: 96.131 ± 0.007°
• γ: 90°
• Cell volume: 1533.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No