The crystalline structure of the sugars. Part VI. A three-dimensional analysis of β-celloboise

The crystal structure of cellobiose has been determined from three-dimensional X-ray diffraction data. The approximate orientation of the molecule was found by trial-and-error, and the positional and anisotropic thermal parameters were refined using 1116 structure amplitudes until R= 5·9%. Both pyranose rings are in the strainless trans form, and are in the β-configuration with 1 → 4 linkage. The results are in essential agreement with earlier results but the accuracy is higher, with estimated standard deviations of 0·008 Å for the bond lengths.