[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3379
[ doi:10.1107/S1600536812045606 ]

2-(2-Hydroxypropan-2-yl)-6-(prop-2-ynyloxy)-1-benzofuran-3(2H)-one

H. H. Kinfe, Y. H. Belay and Z. H. Phasha


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.952
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 -- C2 .. 5.7 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C3 .. 6.9 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 100 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 14
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT793_ALERT_4_G The Model has Chirality at C11 (Verify) .... S PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 88 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 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 1 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 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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