Acta Cryst. (2006). E62, o933-o934  [ doi:10.1107/S1600536806003783 ]

(1,3-Dioxan-2-ylmethyl)triphenylphosphonium bromide monohydrate

Y.-Z. Wu, H.-Y. Li and W.-T. Yu

Online 8 February 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.044
• wR factor = 0.119
• Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.82 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C22     
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C21    -   C22    ...       1.42 Ang.  

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

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