(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2177-o2178 [ doi:10.1107/S1600536805018350 ]

syn-exo-4,7,12,15-Tetrakis(trimethylsilyl)-4,7,12,15-tetrahydro[2.2]paracyclophane

P. G. Jones, P. Bubenitschek, H. Hopf and R. Savinsky

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 143 K
Mean (Wave) = 0.000 Å
R factor = 0.040
wR factor = 0.114
Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found




Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           27.54
           From the CIF: _reflns_number_total               1068
           Count of symmetry unique reflns         1071
           Completeness (_total/calc)             99.72%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   0 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
   0 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