(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o678-o680 [ doi:10.1107/S1600536804006671 ]

4'-Acetylbenzo-15-crown-5 2-naphthyloxyacetylhydrazone

T.-B. Wei, Y.-Q. Zhou, Y.-M. Zhang and G.-Q. Zong

Online 31 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.059
wR factor = 0.149
Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         49 Perc. 
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 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O3     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O4     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C9'     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C11'     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C10     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        O3'     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        O4'     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      16.00 Perc. 
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H3     ..  H16B    ..       1.86 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  13 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
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion