Acta Cryst. (2005). E61, o2181-o2182  [ doi:10.1107/S1600536805018386 ]

(E)-2,2,6,6-Tetramethylhept-4-en-3-one

P. G. Jones, P. Bubenitschek, H. Hopf and C. Mlynek

Online 17 June 2005

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• R factor = 0.040
• wR factor = 0.098
• Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT049_ALERT_1_B Calculated Density less than 1.0 gcm-3 .........       1.00       

Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.70 mm    
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     -   C8      ..       5.11 su    
PLAT480_ALERT_4_C Long H...A H-Bond Reported H10B   ..  O1      ..       2.65 Ang.  

   0 ALERT level A = In general: serious problem
   1 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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