[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3245
[ doi:10.1107/S1600536812044200 ]

1,4-Dibromobutane-2,3-dione

D.-X. Zai


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT234_ALERT_4_C Large Hirshfeld Difference Br -- C1 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference O -- C2 .. 0.17 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0135 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 46.867 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.257 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.960
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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