Information card for entry 4506243

Structure parameters

• Formula: C33 H23 N3 O5
• Calculated formula: C33 H23 N3 O5
• SMILES: n1c2c(ccc1)cccc2.c1(c(cc(C(=O)O)cc1)O)N1C(=O)c2c(C1=O)cccc2.n1c2c(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: 12.8111 ± 0.0005 Å
• b: 28.4327 ± 0.0011 Å
• c: 7.3022 ± 0.0003 Å
• α: 90°
• β: 95.295 ± 0.002°
• γ: 90°
• Cell volume: 2648.51 ± 0.18 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: 0.0591
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No