Information card for entry 7224982

Structure parameters

• Chemical name: 4- DIMETHYLAMINOPYRIDINIUM P-HYDROXY BENZOATE PENTAHYDRATE
• Formula: C14 H19.33333 N2 O4.66667
• Calculated formula: C14 H19.3333 N2 O4.66667
• SMILES: [O-]C(=O)c1ccc(O)cc1.c1(cc[nH+]cc1)N(C)C.O.O
• Title of publication: SELF-ASSEMBLED SUPRAMOLECULAR STRUCTURE OF 4- DIMETHYLAMINOPYRIDINIUM P-HYDROXY BENZOATE PENTAHYDRATE: SYNTHESIS, GROWTH, OPTICAL AND BIOLOGICAL PROPERTIES
• Authors of publication: P, Sathya; S, Pugazhendhi; R, Gopalakrishnan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 17.8718 ± 0.0019 Å
• b: 7.3891 ± 0.0009 Å
• c: 34.001 ± 0.003 Å
• α: 90°
• β: 93.644 ± 0.005°
• γ: 90°
• Cell volume: 4481 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No