Information card for entry 2233800

Structure parameters

• Common name: L-tryptophan tris(p-nitrophenol)
• Chemical name: L-Tryptophan 4-nitrophenol trisolvate
• Formula: C29 H27 N5 O11
• Calculated formula: C29 H27 N5 O11
• SMILES: O=C([O-])[C@@H]([NH3+])Cc1c[nH]c2ccccc12.O=N(=O)c1ccc(O)cc1.O=N(=O)c1ccc(O)cc1.O=N(=O)c1ccc(O)cc1
• Title of publication: <small>L</small>-Tryptophan 4-nitrophenol trisolvate
• Authors of publication: Rodrigues, V. H.; Costa, M. M. R. R.; Belsley, M.; de Matos Gomes, E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o920
• a: 13.0321 ± 0.0009 Å
• b: 6.7332 ± 0.0004 Å
• c: 17.3091 ± 0.001 Å
• α: 90°
• β: 104.479 ± 0.003°
• γ: 90°
• Cell volume: 1470.6 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes