Acta Cryst. (2004). E60, o750-o751  [ doi:10.1107/S1600536804007755 ]

An axially chiral 1,2-diketone: 1-(3,4-dimethoxyphenyl)propane-1,2-dione

J. Hartung, K. Spehar, I. Svoboda and H. Fuess

Online 9 April 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.044
• wR factor = 0.134
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C4     -   C9      ..       5.12 su    
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C2     ...       1.53 Ang.  

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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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