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Acta Cryst. (2013). E69, o1792-o1793  [ doi:10.1107/S1600536813029966 ]

3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne

P. Pitliya, R. J. Butcher, A. Karim, P. F. Hudrlik, A. M. Hudrlik and D. Raghavan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H11B .. BR1A .. 3.12 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H13A .. BR1A .. 3.07 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H13A .. BR1B .. 3.02 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H15B .. BR1B .. 3.14 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 16.772 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.145 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.167 Check PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 Why ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 4 Note PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 19 BR1A -C4 -BR1B 1.555 1.555 1.555 8.81 Deg. PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) S PLAT793_ALERT_4_G The Model has Chirality at C13 (Verify) R PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 14 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 351
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 0 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 7 ALERT type 3 Indicator that the structure quality may be low 8 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: P. Pitliya was involved in the preparation of the tile compound, R. J. Butcher was involved in the data collection and interpretation, while P. & A. Hudrlik were involved in interpretation of the spectoscopic data and A. Karim and D. Raghavan were PI's of the grant which provided the funding for this research and were the leaders of this project.

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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