Information card for entry 2200063

Structure parameters

• Common name: boc-Tyr-Tic
• Chemical name: boc-tyrosyl-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate
• Formula: C24.825 H30.475 N2.825 O7.65
• Calculated formula: C24.825 H30.475 N2.825 O7.65
• Title of publication: 2-[<i>N</i>-(<i>tert</i>-Butoxycarbonyl)tyrosyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate
• Authors of publication: Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o87 - o90
• a: 11.464 ± 0.003 Å
• b: 14.827 ± 0.002 Å
• c: 16.444 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795.1 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes