Information card for entry 7128311

Structure parameters

• Common name: Triglycine sulfate
• Formula: C6 H17 N3 O10 S
• Calculated formula: C6 H17 N3 O10 S
• SMILES: S(=O)(=O)([O-])[O-].[NH3+]CC(=O)O.[NH3+]CC(=O)[O-].[NH3+]CC(=O)O
• Title of publication: Asymmetric autocatalysis triggered by triglycine sulfate with switchable chirality by altering the direction of the applied electric field.
• Authors of publication: Kawasaki, Tsuneomi; Kaimori, Yoshiyasu; Shimada, Seiya; Hara, Natsuki; Sato, Susumu; Suzuki, Kenta; Asahi, Toru; Matsumoto, Arimasa; Soai, Kenso
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 49
• Pages of publication: 5999 - 6002
• a: 9.4396 ± 0.0004 Å
• b: 12.6268 ± 0.0004 Å
• c: 5.6979 ± 0.0002 Å
• α: 90°
• β: 110.395 ± 0.003°
• γ: 90°
• Cell volume: 636.57 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No