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

From: Untangling the threads of cellulose mercerization

 

0 0 2 intensity

1 −1 0 intensity

IH

1228

9888

IDH

1862

21,392

ID

10,447

38,111