Information card for entry 4513560

Structure parameters

• Formula: C15 H17 N O6
• Calculated formula: C15 H17 N O6
• SMILES: OCc1c(c(O)c([nH+]c1)C)CO.[O-]C(=O)c1ccc(O)cc1
• Title of publication: Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts
• Authors of publication: Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3474
• a: 15.2676 ± 0.0015 Å
• b: 6.8912 ± 0.0007 Å
• c: 26.705 ± 0.003 Å
• α: 90°
• β: 95.223 ± 0.01°
• γ: 90°
• Cell volume: 2798 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No