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. 2015 Jan 1;71(Pt 1):85–87. doi: 10.1107/S2056989014026838

Table 2. Experimental details.

Crystal data
Chemical formula C22H21FNO3P
M r 397.37
Crystal system, space group Monoclinic, P21/n
Temperature (K) 140
a, b, c () 18.3667(8), 5.7898(2), 19.7710(7)
() 110.870(4)
V (3) 1964.50(13)
Z 4
Radiation type Mo K
(mm1) 0.17
Crystal size (mm) 0.40 0.11 0.07
 
Data collection
Diffractometer Oxford Diffraction Xcalibur 3/Sapphire3 CCD
Absorption correction Multi-scan (CrysAlis PRO; Oxford Diffraction, 2010)
T min, T max 0.790, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 32284, 4518, 3624
R int 0.054
(sin /)max (1) 0.650
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.044, 0.097, 1.05
No. of reflections 4518
No. of parameters 253
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.26, 0.34

Computer programs: CrysAlis PRO (Oxford Diffraction, 2010), SHELXS97, SHELXL97 and SHELXL2014 (Sheldrick, 2008), ORTEPII (Johnson, 1976) and WinGX (Farrugia, 2012).