(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o141-o142 [ doi:10.1107/S1600536803000795 ]

L-Valinium hydrogenphosphite

L. Bendheif, N. Benali-Cherif, L. Benguedouar, K. Bouchouit and H. Merazig

Online 17 January 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
Disorder in solvent or counterion
R factor = 0.038
wR factor = 0.100
Data-to-parameter ratio = 10.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.36                 
         From the CIF: _reflns_number_total               3629                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3839                           
         Completeness (_total/calc)             94.53%                          
          Alert C: < 95% complete                                               

PLAT_302  Alert C Anion/Solvent Disorder .......................       4.00 Perc.

PLAT_420  Alert C D-H Without Acceptor       P(1B)  -  >H(5C)             ?

PLAT_420  Alert C D-H Without Acceptor       P(1A)  -   H(13A)            ?

PLAT_707  Alert C D...A   Calc  2.6285(19), Rep    2.626(2), Dev.      1.32 Sigma
                     O5A  -O2A     1.555   1.555


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 5 Alert Level C = Please check