Information card for entry 8107020

Structure parameters

• Formula: C14 H26 N2 O3 S
• Calculated formula: C14 H26 N2 O3 S
• Title of publication: Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, C14H26N2O3S
• Authors of publication: Sun, Ning; Cai, Yuanyuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 831 - 832
• a: 7.1396 ± 0.0004 Å
• b: 9.2946 ± 0.0005 Å
• c: 13.4298 ± 0.0007 Å
• α: 90°
• β: 115.688 ± 0.004°
• γ: 90°
• Cell volume: 803.12 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No