Information card for entry 4512418

Structure parameters

• Formula: C52 H44 N10 O10
• Calculated formula: C52 H44 N10 O10
• SMILES: c1(c(C(=O)O)cc(c(c1)C(=O)O)C(=O)O)C(=O)O.c1c(c2n(c3c(cccc3)n2)C)cc(cn1)c1n(c2c(cccc2)n1)C.O.c1c(cc(cn1)c1n(c2c(cccc2)n1)C)c1n(c2c(cccc2)n1)C.O
• Title of publication: Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon
• Authors of publication: Dey, Avishek; Bera, Saibal; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 318
• a: 8.435 ± 0.002 Å
• b: 10.432 ± 0.003 Å
• c: 13.287 ± 0.004 Å
• α: 81.612 ± 0.007°
• β: 75.381 ± 0.007°
• γ: 87.175 ± 0.007°
• Cell volume: 1119.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No