[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o290-o291
[ doi:10.1107/S1600536813000378 ]

rac-N-Benzylisatincreatinine (unknown solvate)

N. R. Penthala and P. A. Crooks


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.0 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for N14 -- C13 .. 5.6 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 12 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 12 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 23 Perc. PLAT605_ALERT_4_G Structure Contains Solvent Accessible VOIDS of . 166 A   3 PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C10 (Verify) .... R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 222 PLAT869_ALERT_4_G ALERTS Related to the use of SQUEEZE Suppressed ! PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 11 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 4 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 0 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 4 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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