Information card for entry 4506246

Structure parameters

• Formula: C82 H56 N8 O10
• Calculated formula: C82 H56 N8 O10
• SMILES: C(=O)(c1cc(ccc1N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(c1c(C(=O)O)cc(cc1)O)C3=O)O)O.n1cccc2c1cccc2.n1cccc2c1cccc2.c1ccc2ncccc2c1.n1cccc2ccccc12.n1cccc2ccccc12.n1cccc2ccccc12
• 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: 9.5272 ± 0.0006 Å
• b: 13.238 ± 0.0009 Å
• c: 13.3281 ± 0.0009 Å
• α: 95.328 ± 0.003°
• β: 97.809 ± 0.004°
• γ: 93.357 ± 0.003°
• Cell volume: 1653.85 ± 0.19 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: 0.0584
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No