Information card for entry 2009421

Structure parameters

• Chemical name: cyclo(L-Thr-D-Val-L-Pro-Sar-N-MeVal-L-Val-O~Thr~)
• Formula: C24 H46 Cl N5 O8
• Calculated formula: C24 H46 Cl N5 O8
• Title of publication: Structure of <i>cyclo</i>-(<small>L</small>-threonyl-<small>D</small>-valyl-<small>L</small>-prolyl-sarcosyl-<i>N</i>-methyl-<small>L</small>-valyl-O~Thr~) at 153 K
• Authors of publication: Pohl, Ehmke; Sheldrick, George M.; Fischer, Stefan; Lackner, Helmut
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 100 - 103
• a: 11.004 ± 0.003 Å
• b: 13.482 ± 0.004 Å
• c: 19.935 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2957.5 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0334
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No