Table 2 Calculated intensities of reflections (002) and (1 −1 0) for a unit cell containing only H chains, IH(hkl), only D chains, ID(hkl), and containing equal amounts of H and D chains (each with half occupancy at the two chain positions in the unit cell), IDH(hkl), using the previously reported atomic coordinates of cellulose II5 and the program SHELX17
0 0 2 intensity | 1 −1 0 intensity | |
---|---|---|
IH | 1228 | 9888 |
IDH | 1862 | 21,392 |
ID | 10,447 | 38,111 |