Information card for entry 2228836

Structure parameters

• Chemical name: (<i>S</i>)-(<i>Z</i>)-Methyl 2-[2,3-bis(benzyloxycarbonyl)guanidino]-4-methylpentanoate
• Formula: C24 H29 N3 O6
• Calculated formula: C24 H29 N3 O6
• SMILES: O(C)C(=O)[C@@H](NC(=N\C(=O)OCc1ccccc1)\NC(=O)OCc1ccccc1)CC(C)C
• Title of publication: (<i>S</i>)-(<i>Z</i>)-Methyl 2-[2,3-bis(benzyloxycarbonyl)guanidino]-4-methylpentanoate
• Authors of publication: Fronczek, Chris F.; Kil, HyunJoo; McLaughlin, Mark L.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o27 - o28
• a: 7.7203 ± 0.0005 Å
• b: 14.2043 ± 0.001 Å
• c: 21.28 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2333.6 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0522
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes