Information card for entry 7239291

Structure parameters

• Formula: C24 H34 N O8.5
• Calculated formula: C24 H29 N O8.5
• Title of publication: Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray
• Authors of publication: Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 45
• Pages of publication: 23355
• a: 9.2847 ± 0.0014 Å
• b: 19.642 ± 0.003 Å
• c: 27.419 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5000.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1316
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No