(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o1476-o1477 [ doi:10.1107/S1600536810018994 ]

N-Methacryloyl-4-(piperidin-1-yl)-1,8-naphthalimide

L. R. Hanton, S. C. Moratti, Z. Shi and J. Simpson

Online 29 May 2010

Key indicators

Single-crystal X-ray study
T = 90 K
Mean (C-C) = 0.005 Å
R factor = 0.054
wR factor = 0.152
Data-to-parameter ratio = 7.8

checkCIF/PLATON results

No syntax errors found



Alert level A
THETM01_ALERT_3_A  The value of sine(theta_max)/wavelength is less than 0.550
            Calculated sin(theta_max)/wavelength =    0.5086

Author Response: ... Crystals were very thin and weakly diffracting and measurable reflection data could not be observed beyond \q = 21.2 \%. This has been detailed in the _publ_section_exptl_refinement

PLAT023_ALERT_3_A Resolution (too) Low [sin(theta)/Lambda < 0.6]..      21.19 Deg.


Alert level B
REFNR01_ALERT_3_B  Ratio of reflections to parameters is < 8 for a
            centrosymmetric structure
            sine(theta)/lambda                0.5086
            Proportion of unique data used    1.0000
            Ratio reflections to parameters   7.8093
PLAT088_ALERT_3_B Poor Data / Parameter Ratio ....................       7.81      

Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          5      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.509         26      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H24A   ..  O12     ..       2.67 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H25B   ..  O11     ..       2.72 Ang. 

Alert level G
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still       68.17 Perc.
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.65 mm   

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

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