Information card for entry 2233041

Structure parameters

• Common name: Guanidinium 2-(myristoylsulfanyl)ethanesulfonate
• Chemical name: Guanidinium 2-(tetradecanoylsulfanyl)ethanesulfonate
• Formula: C17 H37 N3 O4 S2
• Calculated formula: C17 H37 N3 O4 S2
• Title of publication: Guanidinium 2-(myristoylsulfanyl)ethanesulfonate
• Authors of publication: Monillas, Elizabeth S.; Monillas, Wesley H.; Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3257
• a: 25.185 ± 0.013 Å
• b: 7.37 ± 0.004 Å
• c: 12.663 ± 0.007 Å
• α: 90°
• β: 101.851 ± 0.01°
• γ: 90°
• Cell volume: 2300 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1683
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes