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Acta Cryst. (2012). E68, o64  [ doi:10.1107/S1600536811052007 ]

(E)-2-(4-tert-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl-1H-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate

G. Yang, Y. Wang and H. Yu

Online 10 December 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C21
Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT230_ALERT_2_C Hirshfeld Test Diff for C21 -- C22 .. 6.0 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8 - C9 ... 1.44 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 25 C7 -C8 -C9 -N3 170.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 C10 -C8 -C9 -N3 -7.00 5.00 1.555 1.555 1.555 1.555 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 36 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 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 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 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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