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Acta Cryst. (2009). E65, m1178  [ doi:10.1107/S1600536809035144 ]


M. R. Rizal and S. W. Ng

Online 9 September 2009

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.29 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.18 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 14 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C1 - C6 ... 1.42 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C3 - C4 ... 1.41 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C11 -- C12 .. 0.17 Ang.
Alert level G PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 9.33 PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C12 -C20 1.41 Ang. PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C12 -C20 0.16 Ang. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 74 PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 6 ALERT level G = General alerts; check 0 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 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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