[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o144-o145
[ doi:10.1107/S1600536812051161 ]

(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine

K. Eichstaedt, T. Olszewska and M. Gdaniec


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 13
Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 7.16 PLAT230_ALERT_2_C Hirshfeld Test Diff for O7 -- C17 .. 5.3 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0049 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.724
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 45 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 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 2 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 1 ALERT type 5 Informative message, check

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