Information card for entry 2240489

Structure parameters

• Chemical name: <i>N</i>-Benzyloxycarbonyl-β-glycylglycylglycine benzyl ester
• Formula: C22 H25 N3 O6
• Calculated formula: C22 H25 N3 O6
• SMILES: O=C(NCC(=O)NCC(=O)OCc1ccccc1)CCNC(=O)OCc1ccccc1
• Title of publication: The tripeptide <i>N</i>-Cbz-βGly-Gly-Gly-Obz
• Authors of publication: Nicholas, Sumesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o240 - o241
• a: 24.713 ± 0.003 Å
• b: 9.6794 ± 0.001 Å
• c: 8.9445 ± 0.001 Å
• α: 90°
• β: 92.257 ± 0.005°
• γ: 90°
• Cell volume: 2137.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.3257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes