(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o1016-o1018 [ doi:10.1107/S1600536806004582 ]

N,N',N''-Tribenzyloxydicarbonimidic diamide

I. Đilovic, D. Matkovic-Calogovic, I. Kos, M. Birus and M. Jadrijevic Mladar-Takac

Online 15 February 2006

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
R factor = 0.047
wR factor = 0.149
Data-to-parameter ratio = 10.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O13    ..  O13     ..       2.68 Ang.  
PLAT430_ALERT_2_B Short Inter D...A Contact  O23    ..  O23     ..       2.68 Ang.  

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C122     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C112     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C112   -C117          1.37 Ang.  
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C118   -C123          1.37 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11N   ..  O13     ..       2.75 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21N   ..  O23     ..       2.66 Ang.  

   0 ALERT level A = In general: serious problem
   2 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
   6 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
   2 ALERT type 4 Improvement, methodology, query or suggestion