(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1958-o1959 [ doi:10.1107/S1600536803025790 ]

Methyl (RS)-[1-hydroxy-1-(3-nitrophenyl)-3-oxo-1,3-dihydroisoindol-2-yl]acetate

J. B. Baell, P. J. Duggan, G. D. Fallon and Y. P. Lok

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.003 Å
R factor = 0.047
wR factor = 0.109
Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.99       
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5     -   N2       =       5.05 su    

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion