Figure 2
Pawley fit of synchrotron XPD data of octreotide (sample code A3, space group P212121). The data were collected at ID22 with a wavelength of 1.299946 (5) Å (room temperature). The black, red and lower blue lines represent the experimental data, the calculated pattern and the difference between them, respectively. Black vertical bars correspond to Bragg reflections compatible with the P212121 space group. The extracted unit-cell parameters are a = 18.5453 (15), b = 30.1766 (25) and c = 39.798 (4) Å, with agreement factors of Rwp = 8.543% and χ2 = 1.18. |