Information card for entry 4506242

Structure parameters

• Formula: C29 H19 N3 O5
• Calculated formula: C29 H19 N3 O5
• SMILES: N1(c2c(O)cc(C(=O)O)cc2)C(=O)c2c3c(C1=O)cccc3ccc2.c1(ccncc1)c1ccncc1
• 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: 9.5761 ± 0.0004 Å
• b: 11.3729 ± 0.0004 Å
• c: 12.5759 ± 0.0005 Å
• α: 66.664 ± 0.002°
• β: 79.047 ± 0.002°
• γ: 66.456 ± 0.002°
• Cell volume: 1152.07 ± 0.08 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: 0.0542
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No