Information card for entry 4502291

Structure parameters

• Formula: C30 H21 N3 O6
• Calculated formula: C30 H21 N3 O6
• SMILES: C(=O)(c1ccc(C(=O)O)cc1N1C(=O)c2cccc3c2c(ccc3)C1=O)O.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: 13.2197 ± 0.0013 Å
• b: 14.1173 ± 0.0013 Å
• c: 27.683 ± 0.003 Å
• α: 90°
• β: 99.663 ± 0.008°
• γ: 90°
• Cell volume: 5093.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No