(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]
Acta Cryst. (2009). E65, o622 [ doi:10.1107/S1600536809006539 ]
2-{3,4-Dibutoxy-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}-5-(3-methylphenyl)-1,3,4-oxadiazole

L.-N. Han, R.-Z. Lu, M. Zhang and H. Wang

Online 28 February 2009
Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.071
wR factor = 0.167
Data-to-parameter ratio = 14.9
checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         41 Perc.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S      --  C21     ..       6.71 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     --  C12     ..       6.72 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     --  C7      ..       6.06 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C6     --  C7      ..       5.34 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C10    --  C11     ..       5.47 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C17    --  C18     ..       6.00 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C28    --  C30     ..       6.28 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C19     
PLAT334_ALERT_2_C Small Average Benzene C-C Dist.  C24    -C29           1.36 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          8      
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C13    -   C14    ...       1.43 Ang. 
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C14    -   C15    ...       1.43 Ang. 
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C18    -   C19    ...       1.43 Ang. 
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C28    -   C30    ...       1.38 Ang. 
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference O1     --  C9      ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O2     --  C11     ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O3     --  C17     ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O4     --  C22     ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O4     --  C23     ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference N1     --  C8      ..       0.15  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference N2     --  C9      ..       0.13  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference N3     --  N4      ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference N3     --  C22     ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C1     --  C2      ..       0.13  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C2     --  C3      ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C3     --  C4      ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C4     --  C5      ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C5     --  C6      ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C6     --  C8      ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C12    --  C13     ..       0.13  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C13    --  C14     ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C14    --  C15     ..       0.17  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C24    --  C29     ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C25    --  C26     ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C28    --  C29     ..       0.12  Ang.

Alert level G
PLAT335_ALERT_2_G Check Large C6 Ring C-C Range .  C2     -C7            0.21 Ang. 
PLAT343_ALERT_2_G Check sp3     Angle Range in Main Residue for ..      C14        
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         52      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  15 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  22 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check