[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2727
[ doi:10.1107/S1600536812035039 ]

(Z)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile

H.-K. Fun, C. K. Quah, H. A. Abdel-Aziz and H. A. Ghabbour


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 49 Perc.
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.971 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0053 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 45
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 69.76 From the CIF: _reflns_number_total 2831 Count of symmetry unique reflns 2058 Completeness (_total/calc) 137.56% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 773 Fraction of Friedel pairs measured 0.376 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.92 mm PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C10 - C17 ... 1.42 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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