(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2004). E60, o2290-o2292 [ doi:10.1107/S1600536804028314 ]

N-[(1S,2S,3R)-2-Bromo-3-(tert-butyldiphenylsilyloxy)-1-phenyl-4-(phenylsulfonyl)butyl]-4-methylbenzenesulfonamide

K. Ravikumar, G. Y. S. K. Swamy, S. Raghavan and C. Naveenkumar

Online 13 November 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.051
wR factor = 0.130
Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93       

Alert level C
ABSTM02_ALERT_3_C  The ratio of Tmax/Tmin expected RT(exp) is > 1.10
            Absorption corrections should be applied.
            Tmin and Tmax expected:      0.746     0.839
            RT(exp) =      1.125
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.12       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.56 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.16 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C36     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C5     -C10           1.37 Ang.  

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion