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Acta Cryst. (2013). E69, o1354  [ doi:10.1107/S1600536813020618 ]

(E)-2-[(2-Formylphenoxy)methyl]-3-(4-isopropylphenyl)acrylonitrile

J. Kanchanadevi, G. Anbalagan, R. Selvakumar, M. Bakthadoss, B. Gunasekaran and V. Manivannan


Key indicators

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Alert level C PLAT213_ALERT_2_C Atom C17A has ADP max/min Ratio ..... 3.4 prola PLAT213_ALERT_2_C Atom C18A has ADP max/min Ratio ..... 3.7 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.6 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.542 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 9 % PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8 - C20 ... 1.43 Ang. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 9
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: All the six authors have contribution in this paper. 1st and 3rd authors are students involved in the synthesis, preparation of the sample and basic crystallography. 2nd author is the supervisor of 1st author. 4th author is the supervisor of 3rd author.6th author is co-supervisors of 1st author. 5th author is involved in final crystallography and writeup and also involved in the biological study.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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