Information card for entry 2201007

Structure parameters

• Common name: Bis(L-glutamic acid) sulfate hemihydrate
• Chemical name: Bis(L-glutamic acid) sulfate hemihydrate
• Formula: C10 H21 N2 O12.5 S
• Calculated formula: C10 H21 N2 O12.5 S
• SMILES: S(=O)(=O)([O-])[O-].O=C(O)[C@@H]([NH3+])CCC(=O)O.O=C(O)[C@@H]([NH3+])CCC(=O)O.O
• Title of publication: Bis(<small>L</small>-glutamic acid) sulfate hemihydrate
• Authors of publication: B. Sridhar; N. Srinivasan; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o272 - o276
• a: 12.536 ± 0.002 Å
• b: 12.596 ± 0.002 Å
• c: 13.306 ± 0.002 Å
• α: 79.09 ± 0.01°
• β: 62.05 ± 0.01°
• γ: 65.88 ± 0.01°
• Cell volume: 1693.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes