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Acta Cryst. (2012). E68, o153  [ doi:10.1107/S1600536811053669 ]

4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile

H. Tuncer, A. O. Görgülü and T. Hökelek

Online 17 December 2011


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Alert level B PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 16 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 13.62
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 28.22 From the CIF: _reflns_number_total 2615 Count of symmetry unique reflns 1617 Completeness (_total/calc) 161.72% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 998 Fraction of Friedel pairs measured 0.617 Are heavy atom types Z>Si present no PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8 - C12 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C9 - C13 ... 1.43 Ang.
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 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 6 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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