(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5421-o5422 [ doi:10.1107/S1600536806045843 ]

2-Aminoquinolin-4-yl 2,4,6-triisopropylbenzenesulfonate

L. E. da Silva, A. C. Joussef, R. A. Rebelo, S. Foro and B. Schmidt

Online 8 November 2006

Key indicators

Single-crystal X-ray study
T = 299 K
Mean (C-C) = 0.006 Å
Disorder in main residue
R factor = 0.057
wR factor = 0.152
Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C19     

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.12      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.89 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C22     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6      
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      27.70 Deg. 
              C20B -C19  -C20A    1.555   1.555   1.555                        

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check