Information card for entry 4512414

Structure parameters

• Formula: C40 H38 N4 O4
• Calculated formula: C40 H38 N4 O4
• SMILES: c1(ccncc1)c1ccncc1.N(c1c(cccc1)C(=O)O)c1cccc(c1C)C.N(c1c(cccc1)C(=O)O)c1cccc(c1C)C
• Title of publication: Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects
• Authors of publication: Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 228
• a: 7.3302 ± 0.0004 Å
• b: 8.6992 ± 0.0005 Å
• c: 13.6719 ± 0.0008 Å
• α: 106.276 ± 0.001°
• β: 99.368 ± 0.001°
• γ: 98.738 ± 0.001°
• Cell volume: 807.55 ± 0.08 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No