Information card for entry 1551798

Structure parameters

• Common name: L-(S)-Tryptophane-D-(R)-Mandelate 1.5H2O
• Formula: C19 H23 N2 O6.5
• Calculated formula: C19 H23 N2 O6.5
• Title of publication: Crystal Structure of L-(S)-Tryptophane D-(R)-mandelate 1.5H2O
• Authors of publication: FUJII, Isao
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 35
• a: 32.997 ± 0.002 Å
• b: 5.8823 ± 0.0008 Å
• c: 9.8717 ± 0.0009 Å
• α: 90°
• β: 103.483 ± 0.006°
• γ: 90°
• Cell volume: 1863.3 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No