(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o206-o207 [ doi:10.1107/S160053680905363X ]

Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate

A. V. Gurbanov, E. V. Nikitina, V. P. Zaytsev, F. I. Zubkov and V. N. Khrustalev

Online 19 December 2009

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R factor = 0.040
wR factor = 0.106
Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1     ..  C17     ..       2.95 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O5     ..  C11     ..       2.99 Ang. 
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio

Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.       5.50      
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C6A     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C7A     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C9      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C10     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C10A    (Verify) ....          R      

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

   3 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
   0 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check