[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o597
[ doi:10.1107/S160053681300740X ]

5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole

B. Balakrishnan, C. Praveen, P. R. Seshadri and P. T. Perumal


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_4_C Flack test results are meaningless. From the CIF: _refine_ls_abs_structure_Flack -0.200 From the CIF: _refine_ls_abs_structure_Flack_su 1.200
Author Response: The structure contains only C,H,N and O atoms, for which the anomalous dispersion effects are negligible with MoK\a radiation. Also there is uncertainty in Z-direction only. The flack parameter and the S.U. calculated on such situation is unreliable or meaningless. We have added another line in the cif showing the absolute configuration of the structure is unknown.
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          2      
PLAT915_ALERT_3_C Low Friedel Pair Coverage ......................         80 Perc.

Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High . 1.200 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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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