[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3385
[ doi:10.1107/S1600536812046673 ]

Dabigatran etexilate tetrahydrate

H.-Q. Liu, W.-G. Zhang, Z.-Q. Cai, W.-R. Xu and X.-P. Shen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N2 -- C8 .. 5.3 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.818 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 9 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 53 C11 -C10 -C11' 1.555 1.555 1.555 12.70 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 65 H10A -C10 -H10C 1.555 1.555 1.555 10.70 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 71 H10B -C10 -H10D 1.555 1.555 1.555 10.70 Deg. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 40 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 43
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 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