[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o512
[ doi:10.1107/S1600536813005515 ]

[2-Acetoxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)azanium chloride monohydrate

Y.-Y. Liu, G.-H. Xu, Z.-J. Li, H.-Y. Xu and C.-Q. Gu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0062 Ang PLAT415_ALERT_2_C Short Inter D-H..H-X H1WB .. H13B .. 2.13 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 29.950 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.310 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C18 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT793_ALERT_4_G The Model has Chirality at C12 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2 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 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster