Information card for entry 2012755

Structure parameters

• Chemical name: N-t-butoxycarbonyl-N-methyl-(O-benzyl)-L-tyrosine
• Formula: C22 H27 N O5
• Calculated formula: C22 H27 N O5
• SMILES: C(=O)([C@H](Cc1ccc(cc1)OCc1ccccc1)N(C)C(=O)OC(C)(C)C)O
• Title of publication: <i>O</i>-Benzyl-<i>N</i>-<i>tert</i>-butoxycarbonyl-<i>N</i>-methyl-<small>L</small>-tyrosine
• Authors of publication: Jankowska, Elżbieta; Gilski, Mirosław; Jaskólski, Mariusz; Grzonka, Zbigniew; Łankiewicz, Leszek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o353 - o354
• a: 9.346 ± 0.002 Å
• b: 11.413 ± 0.002 Å
• c: 19.493 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2079.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No