[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o738
[ doi:10.1107/S1600536813009781 ]


J. P. Jasinski, J. P. St. John, R. J. Butcher, B. Narayana, H. S. Yathirajan and B. K. Sarojini

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT414_ALERT_2_B Short Intra D-H..H-X H1AA .. H5A .. 1.82 Ang. PLAT414_ALERT_2_B Short Intra D-H..H-X H1BA .. H1BB .. 1.81 Ang. PLAT414_ALERT_2_B Short Intra D-H..H-X H5C .. H1CA .. 1.81 Ang. PLAT415_ALERT_2_B Short Inter D-H..H-X H1AA .. H2A .. 1.98 Ang. PLAT415_ALERT_2_B Short Inter D-H..H-X H4A .. H1BA .. 1.94 Ang. PLAT415_ALERT_2_B Short Inter D-H..H-X H2B .. H1CA .. 1.95 Ang. PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 22 Perc.
Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0058 Ang PLAT415_ALERT_2_C Short Inter D-H..H-X H1AA .. H1AB .. 2.14 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1A - H1AA ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1B - H1BA ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1C - H1CA ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A .. N1A .. 2.66 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5 PLAT976_ALERT_2_C Negative Residual Density at 1.04A from N1B . -0.57 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.08A from N1A . -0.42 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.07A from N1C . -0.42 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 6 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.15 PLAT115_ALERT_5_G ADDSYM Detects Noncrystallographic Inversion ... 84 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 15 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 44
0 ALERT level A = Most likely a serious problem - resolve or explain 7 ALERT level B = A potentially serious problem, consider carefully 11 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 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 3 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: Each of the authors presented on this paper made significant and appropriate contributions to this submission

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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