[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1325  [ doi:10.1107/S1600536813020187 ]

1,3-Bis[(5-aminofuran-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium hexafluorophosphate

M. Akkurt, S. Akkoç, Y. Gök and M. N. Tahir


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5888 PLAT234_ALERT_4_C Large Hirshfeld Difference P1 -- F3 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference P1 -- F5 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference P1 -- F6 .. 0.19 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.9 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0073 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.589 30
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 29 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster