(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2224-o2226 [ doi:10.1107/S1600536805018933 ]

2-(2,5-Dimethylbenzyl)-3-phenylsulfanyl-1-phenylsulfonyl-1H-indole

G. Usha, S. Selvanayagam, D. Velmurugan, K. Ravikumar, N. Sureshbabu and P. C. Srinivasan

Online 24 June 2005

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.003 Å
R factor = 0.049
wR factor = 0.143
Data-to-parameter ratio = 16.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.68       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.78 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C26     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C27     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C25     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C28     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C25    -C30           1.37 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   7 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