Acta Cryst. (2012). E68, o2431-o2432
[ doi:10.1107/S1600536812030644 ]

Dimethyl 2-[24-acetyl-28-oxo-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26.0^2,7.0^15,20]octacosa-2,4,6,15(20),16,18-hexaen-27-yl]but-2-enedioate

T. H. Hieu, L. T. Anh, A. T. Soldatenkov, N. M. Kolyadina and V. N. Khrustalev

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.045
• wR factor = 0.111
• Data-to-parameter ratio = 22.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.215      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C30     
PLAT793_ALERT_4_G The Model has Chirality at C1      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C21     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C22     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C26     (Verify) ....          S      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          2      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL023_ALERT_1_A There is a mismatched ^ on line 114
              2-(24-acetyl-28-oxo-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,\
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C
PUBL023_ALERT_1_A There is a mismatched ^ on line 115
              7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-27-yl)but-2-enedioate
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C

   2 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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