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. 2026 Apr 30;16(25):22514–22529. doi: 10.1039/d5ra08777e

Table 2. Fractional atomic coordinates and equivalent isotropic temperature factors (Å2).

x Y z U eq
C1 0.7554(3) 0.5347(3) −0.0742(2) 0.0375(5)
C2 0.8213(3) 0.3870(3) −0.0710(2) 0.0391(5)
C3 0.8395(3) 0.2705(2) 0.0607(2) 0.0315(4)
C4 0.7915(3) 0.3030(2) 0.18869(19) 0.0211(3)
N1 0.81436(2) 0.17963(17) 0.32795(18) 0.0267(3)
N2 0.6627(2) 0.48501(17) 0.32221(17) 0.0246(3)
C7 0.7214(3) 0.45104(19) 0.18620(19) 0.0202(3)
C8 0.7041(3) 0.5676(2) 0.0539(2) 0.0288(4)
P1 0.22099(7) 0.24993(5) 0.49933(5) 0.01938(12)
O1 0.1894(2) 0.13008(17) 0.65826(15) 0.0335(3)
O2 0.0049(2) 0.30143(15) 0.45955(14) 0.0269(3)
O3 0.3287(2) 0.36658(15) 0.49198(15) 0.0297(3)
O4 0.3778(2) 0.16280(17) 0.39643(17) 0.0310(3)
P2 0.66398(7) 0.09056(5) 0.77567(5) 0.02296(13)
O5 0.7763(2) 0.0295(2) 0.90893(18) 0.0440(4)
O6 0.4286(2) 0.09685(19) 0.83070(14) 0.0367(4)
O7 0.6935(2) 0.25839(15) 0.69674(16) 0.0314(3)
O8 0.7741(2) 0.00427(18) 0.67265(18) 0.0417(4)