Information card for entry 2237528

Structure parameters

• Common name: Benzylammoniumdiheptanoate
• Chemical name: Benzylammonium heptanoate‒heptanoic acid (1/1)
• Formula: C21 H37 N O4
• Calculated formula: C21 H37 N O4
• Title of publication: Benzylammonium heptanoate‒heptanoic acid (1/1)
• Authors of publication: Wood, Mary H.; Clarke, Stuart M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o346 - o347
• a: 25.5516 ± 0.0005 Å
• b: 6.325 ± 0.0001 Å
• c: 27.9899 ± 0.0006 Å
• α: 90°
• β: 90.639 ± 0.001°
• γ: 90°
• Cell volume: 4523.27 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.1675
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes