(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2352-o2353 [ doi:10.1107/S1600536805019872 ]

O,O-Diethyl phthalimidophosphonothioate (Ditalimphos)

R. G. Baughman and C. M. Paulos

Online 6 July 2005

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.008 Å
R factor = 0.064
wR factor = 0.200
Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C11A     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        O3A     
PLAT360_ALERT_2_B Short  C(sp3)-C(sp3) Bond  C9A    -   C10A   ...       1.32 Ang.  
PLAT360_ALERT_2_B Short  C(sp3)-C(sp3) Bond  C11A   -   C12A   ...       1.30 Ang.  

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.61 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C5A     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C6A     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C9B    -   C10B   ...       1.34 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4       

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
   6 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
   8 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
   1 ALERT type 4 Improvement, methodology, query or suggestion