[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Issue contents]  [Buy article online]

[Contents scheme]

Acta Cryst. (2005). E61, o2587-o2589  [ doi:10.1107/S1600536805022154 ]

n-Propyl gallate-chloroform (3/0.5)

S. Iwata, A. Hitachi, T. Makino and J. Mizuguchi

Online 16 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT411_ALERT_2_B Short Inter H...H Contact H12 .. H12 .. 2.08 Ang.
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 68.17 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 5231 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 5758 Completeness (_total/calc) 90.85% PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.91 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 3.00 Ratio PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.85 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C31 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT411_ALERT_2_C Short Inter H...H Contact H22 .. H22 .. 2.10 Ang.
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster