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Acta Cryst. (2010). E66, o10-o11  [ doi:10.1107/S1600536809051149 ]

Diethyl 5-amino-2,4,6-triiodoisophthalate

J. Wu, M.-H. Xie, P. Zou, Y.-L. Liu and Y.-J. He

Online 4 December 2009


Key indicators

checkCIF/PLATON results

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Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact I1A .. O4B .. 3.14 Ang. PLAT431_ALERT_2_B Short Inter HL..A Contact I1B .. O2A .. 3.14 Ang.
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.50 Ratio PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 11 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C8B - C10B ... 1.55 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact I2B .. O4A .. 3.35 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact I3A .. O2B .. 3.31 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact I3B .. O1A .. 3.37 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 52 PLAT234_ALERT_4_C Large Hirshfeld Difference C1A -- C2A .. 0.21 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference O3B -- C11B .. 0.16 Ang. PLAT927_ALERT_1_C Reported and Calculated wR2 * 100.0 Differ by . -0.19
Alert level G PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 12.00 PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C4A -C9A 1.42 Ang. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 84 PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c .... P21/n PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 4 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 14
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 6 ALERT level G = General alerts; check 1 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 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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