Information card for entry 7053292

Structure parameters

• Common name: 4-(1-hydroxy-1,2-diphenylethyl)pyridium nitrate
• Chemical name: 4-(1-hydroxy-1,2-diphenylethyl)pyridium nitrate
• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• SMILES: O=N(=O)[O-].[nH+]1ccc(cc1)C(O)(Cc1ccccc1)c1ccccc1
• Title of publication: Investigation of sublimation with and without dissociation in the chloride and nitrate salts of 4-(1-hydroxy-1,2-diphenylethyl)pyridine
• Authors of publication: Báthori, Nikoletta B.; Bombicz, Petra; Bourne, Susan A.; Venter, Gerhard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 405
• a: 6.3168 ± 0.0013 Å
• b: 8.1971 ± 0.0016 Å
• c: 16.497 ± 0.003 Å
• α: 100.78 ± 0.03°
• β: 91.2 ± 0.03°
• γ: 100.44 ± 0.03°
• Cell volume: 823.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No