[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1682
[ doi:10.1107/S1600536813028274 ]

2,4,6-Tri­nitro­phenyl furan-2-carboxyl­ate

R. Moreno-Fuquen, F. Mosquera and A. R. Kennedy


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ........ 7.05 PLAT723_ALERT_1_C Torsion Calc -54.00, Rep 6.00 Dev... 60.00 Sigma C8B -C7 -C8A -C9A 1.555 1.555 1.555 1.555 36 PLAT723_ALERT_1_C Torsion Calc 126.00, Rep 13.00 Dev... 113.00 Sigma C8B -C7 -C8A -O9A 1.555 1.555 1.555 1.555 39 PLAT723_ALERT_1_C Torsion Calc 126.00, Rep 13.00 Dev... 113.00 Sigma C8A -C7 -C8B -C9B 1.555 1.555 1.555 1.555 49 PLAT723_ALERT_1_C Torsion Calc -48.00, Rep 5.00 Dev... 53.00 Sigma C8A -C7 -C8B -O9B 1.555 1.555 1.555 1.555 52
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 11 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 22 Note PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 12 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 2 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 4 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 2 ALERT type 5 Informative message, check

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