Information card for entry 2311621

Structure parameters

• Chemical name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: [O-]C(=O)[C@@H]([NH3+])Cc1c[nH]c2c1cccc2
• Title of publication: Single-crystal investigation of L-tryptophan with Z' = 16.
• Authors of publication: Görbitz, Carl Henrik; Törnroos, Karl Wilhelm; Day, Graeme M.
• Journal of publication: Acta crystallographica. Section B, Structural science
• Year of publication: 2012
• Journal volume: 68
• Journal issue: Pt 5
• Pages of publication: 549 - 557
• a: 11.43 ± 0.003 Å
• b: 11.464 ± 0.004 Å
• c: 35.606 ± 0.009 Å
• α: 84.421 ± 0.004°
• β: 87.694 ± 0.004°
• γ: 60.102 ± 0.002°
• Cell volume: 4025 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No