(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o443 [ doi:10.1107/S1600536810002424 ]

1-(Hydroxymethyl)pyrene

T. Gruber, W. Seichter and E. Weber

Online 23 January 2010

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.002 Å
R factor = 0.038
wR factor = 0.111
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          5      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      

Alert level G
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C4     -C15           1.42 Ang. 
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C11    -C16           1.42 Ang. 
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C4A    -C15A          1.42 Ang. 
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C11A   -C16A          1.42 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   4 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
   2 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