[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2726
[ doi:10.1107/S1600536812035015 ]

3-Oxo-3-(piperidin-1-yl)propanenitrile

H.-K. Fun, C. K. Quah, H. A. Abdel-Aziz and H. A. Ghabbour


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.954
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5779 PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6].. 63.00 Deg. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.578 62
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.70 mm PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00020 Ang. PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 85 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 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 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster