Information card for entry 2015565

Structure parameters

• Common name: aog
• Chemical name: benzyl N-{2-[N-(tert-butoxycarbonyl)alanyl]-4-hydroxyprolyl}glycinate
• Formula: C22 H31 N3 O7
• Calculated formula: C22 H31 N3 O7
• SMILES: C(C)(C)(C)OC(=O)N[C@@H](C)C(=O)N1[C@@H](C[C@@H](O)C1)C(=O)NCC(=O)OCc1ccccc1
• Title of publication: Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen
• Authors of publication: Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o577 - o580
• a: 5.8816 ± 0.0003 Å
• b: 10.6294 ± 0.0006 Å
• c: 19.707 ± 0.001 Å
• α: 75.24 ± 0.001°
• β: 82.56 ± 0.001°
• γ: 81.78 ± 0.001°
• Cell volume: 1173.56 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes