[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o248
[ doi:10.1107/S1600536813001207 ]

Orphenadrinium dihydrogen citrate

M. Kaur, J. P. Jasinski, A. C. Keeley, H. S. Yathirajan and B. P. Siddaraju


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C4 -- C5 .. 7.5 su
Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.665 Test value = 0.600 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.964 PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.714 Sigma PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.44 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.67 eA-3 PLAT230_ALERT_2_C Hirshfeld Test Diff for C3 -- C4 .. 6.5 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.599 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 14
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 151
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 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 5 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster