(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1509-o1511 [ doi:10.1107/S1600536803020324 ]

3-Isopropylamino-7-nitro-1,4,2-benzodithiazine 1,1-dioxide

L. Dupont, F. Somers, P. D. Tullio and B. Pirotte

Online 18 September 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.052
wR factor = 0.156
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing ..          ?
PLAT057_ALERT_3_A Correction for Absorption Required   RT(exp)   =       2.08       

Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.68 mm    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C12     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   0 ALERT type 4 Improvement, methodology, query or suggestion