Acta Cryst. (2013). E69, o45
[ doi:10.1107/S1600536812049343 ]
No syntax errors found
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5875 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.962 PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 1 PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 33 A 3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.588 52 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 16
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 64.94 From the CIF: _reflns_number_total 2776 From the CIF: _diffrn_reflns_limit_ max hkl 15. 34. 9. From the CIF: _diffrn_reflns_limit_ min hkl -15. -34. -9. TEST1: Expected hkl limits for theta max Calculated maximum hkl 15. 36. 9. Calculated minimum hkl -15. -36. -9. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT792_ALERT_1_G Note: The Model has Chirality at C10 (Verify) R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 93 Perc. PLAT951_ALERT_5_G Reported and Calculated Kmax Values Differ by .. 2 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
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 6 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion 3 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: The role of the authors is as follows: C. Muthukumar and A. Sabastiyan synthesized the title compound.|
A. Crochet and K. M. Fromm were involved in collecting the X-ray data, solving, and refining the structure. J. Josephine Novina and G. Vasuki were involved in writing the paper.
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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