Information card for entry 4506245

Structure parameters

• Formula: C28 H18 N2 O5
• Calculated formula: C28 H18 N2 O5
• SMILES: c12c3c(C(=O)N(c4cc(ccc4O)C(=O)[O-])C1=O)cccc3ccc2.[nH+]1c2c(ccc1)cccc2
• Title of publication: Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities
• Authors of publication: Singh, Devendra; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3169
• a: 9.2947 ± 0.0007 Å
• b: 15.4314 ± 0.0012 Å
• c: 15.7079 ± 0.0011 Å
• α: 90°
• β: 95.373 ± 0.004°
• γ: 90°
• Cell volume: 2243.1 ± 0.3 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: 0.0698
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No