Information card for entry 4501819

Structure parameters

• Formula: C32 H32 N6 O12 S4
• Calculated formula: C32 H32 N6 O12 S4
• SMILES: C1(=C(c2ccccc2S(=O)(=O)N1C)O)C(=O)Nc1ncc(s1)C.O=C(O)CCC(=O)O.c1cc2c(cc1)S(=O)(=O)N(C(=C2O)C(=O)Nc1ncc(s1)C)C
• Title of publication: Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study
• Authors of publication: Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4401
• a: 7.2315 ± 0.0004 Å
• b: 8.4994 ± 0.0005 Å
• c: 14.9383 ± 0.0008 Å
• α: 82.741 ± 0.004°
• β: 80.061 ± 0.003°
• γ: 70.313 ± 0.004°
• Cell volume: 849.21 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No