Information card for entry 2200281

Structure parameters

• Chemical name: S-benzyl-L-cysteine
• Formula: C10 H13 N O2 S
• Calculated formula: C10 H13 N O2 S
• SMILES: S(C[C@H]([NH3+])C(=O)[O-])Cc1ccccc1
• Title of publication: <i>S</i>-Benzyl-<small>L</small>-cysteine
• Authors of publication: Troup, Susan D.; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o535 - o537
• a: 9.4224 ± 0.0002 Å
• b: 5.0947 ± 0.0001 Å
• c: 21.551 ± 0.0007 Å
• α: 90°
• β: 94.895 ± 0.0009°
• γ: 90°
• Cell volume: 1030.77 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes