Information card for entry 1551752

Structure parameters

• Chemical name: Boc-Pro-Hyp-Gly-OMe
• Formula: C18 H29 N3 O7
• Calculated formula: C18 H29 N3 O7
• SMILES: C(OC(=O)N1[C@@H](CCC1)C(=O)N1[C@@H](C[C@@H](O)C1)C(=O)NCC(=O)OC)(C)(C)C
• Title of publication: Crystal Structure of t-Butyloxycarbonyl-L-prolyl-L-hydroxyprolyl-glicine methyl ester (Boc-Pro-Hyp-Gly-OMe)
• Authors of publication: ASANO, Akiko; IMORI, Kumiko; SAKAGUCHI, Noriko; DOI, Mitsunobu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 53
• a: 8.8821 ± 0.0011 Å
• b: 15.1509 ± 0.0018 Å
• c: 30.928 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4162 ± 0.9 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No