[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o509
[ doi:10.1107/S1600536814006527 ]

3-[(E)-2-(2-Meth­oxy­phen­yl)vin­yl]-5,5-di­methyl­cyclo­hex-2-enone

Z. Fatima, G. Senthilkumar, A. Vadivel, H. Manikandan and D. Velmurugan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.645 Test value = 0.600 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.282 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.28 Why ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.40 Why ? PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.64 eA-3 PLAT230_ALERT_2_C Hirshfeld Test Diff for C7 -- C8 .. 5.8 su PLAT480_ALERT_4_C Long H...A H-Bond Reported H14B .. O1 .. 2.62 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 13.555 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.625 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 48 Why ?
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.15 Why ? PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 250 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 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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