Information card for entry 2201236

Structure parameters

• Common name: L-citrullinium perchlorate
• Chemical name: L-citrullinium perchlorate
• Formula: C6 H14 Cl N3 O7
• Calculated formula: C6 H14 Cl N3 O7
• SMILES: Cl(=O)(=O)(=O)[O-].O=C(O)[C@@H]([NH3+])CCCNC(=O)N
• Title of publication: <small>L</small>-Citrullinium perchlorate
• Authors of publication: Sridhar, B.; Srinivasan, N.; Dalhus, Bjoern; Rajaram, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1177 - o1179
• a: 5.1113 ± 0.0001 Å
• b: 11.3497 ± 0.0002 Å
• c: 19.3853 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1124.57 ± 0.03 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes