[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o761
[ doi:10.1107/S1600536813010131 ]

tert-Butyl 4-{5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl}piperazine-1-carboxylate

S. Sreenivasa, K. E. ManojKumar, A. Kempaiah, P. A. Suchetan and B. S. Palakshamurthy


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C10A -- C11A .. 7.6 su
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C1 .. 5.7 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 9.777 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 21
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.12 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C10A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C11B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 14 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 9 C12A -N4 -C12B 1.555 1.555 1.555 39.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 11 C11B -N4 -C11A 1.555 1.555 1.555 23.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 19 C10A -N3 -C10B 1.555 1.555 1.555 34.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 21 C13A -N3 -C13B 1.555 1.555 1.555 13.80 Deg. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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