[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o927
[ doi:10.1107/S1600536813013391 ]

[(2R,3R)-3-(4-Nitrophenyl)aziridin-2-yl]methanol monohydrate

V. Gaumet, C. Denis, F. Leal, M. Madesclaire and V. P. Zaitsev


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O14 -- N12 .. 5.1 su PLAT414_ALERT_2_C Short Intra D-H..H-X H4A .. H5 .. 1.95 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 74 %
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.68 mm PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 9
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 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 3 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 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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