[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o23-o24
[ doi:10.1107/S1600536812049082 ]

Ethyl 27-oxo-15-oxa-2,20-diazahexacyclo[18.6.1.01,8.02,6.09,14.021,26]heptacosa-9,11,13,21,23,25-hexaene-7-carboxylate

S. Narayanan, T. Srinivasan, S. Purushothaman, R. Raghunathan and D. Velmurugan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O4 -- C16 .. 5.4 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 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 5 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 10 PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C27 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 40 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 37
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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

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