Information card for entry 4501818

Structure parameters

• Formula: C32 H30 N6 O12 S4
• Calculated formula: C32 H30 N6 O12 S4
• SMILES: c12ccccc1S(=O)(=O)N(C(=C2O)C(=O)Nc1sc(cn1)C)C.C(=O)(/C=C/C(=O)O)O.c12ccccc1S(=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: 7.145 ± 0.005 Å
• b: 8.475 ± 0.005 Å
• c: 15.088 ± 0.009 Å
• α: 82.25 ± 0.009°
• β: 81.368 ± 0.009°
• γ: 70.519 ± 0.009°
• Cell volume: 848 ± 0.9 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: 0.0631
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No