Information card for entry 2238057

Structure parameters

• Chemical name: 2-Phenylethanaminium 4-hydroxybenzoate
• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• Title of publication: 2-Phenylethanaminium 4-hydroxybenzoate
• Authors of publication: Sudhahar, S.; Krishnakumar, M.; Sornamurthy, B. M.; Chakkaravarthi, G.; Mohankumar, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o792
• a: 13.0721 ± 0.0012 Å
• b: 17.3426 ± 0.0016 Å
• c: 6.2154 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes