Acta Cryst. (2007). E63, o2987  [ doi:10.1107/S1600536807024245 ]

(2-Phenylethyl)ammonium chloride

A. H. Arkenbout, A. Meetsma and T. T. M. Palstra

Online 26 May 2007

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.027
• wR factor = 0.071
• Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su ..       0.07      

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.52
           From the CIF: _reflns_number_total               1884
           Count of symmetry unique reflns         1204
           Completeness (_total/calc)            156.48%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       680
           Fraction of Friedel pairs measured     0.565
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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