(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1888-o1889 [ doi:10.1107/S160053680501593X ]

3,4-Methylenedioxybenzaldehyde

S. Wang, J.-K. Wang and D.-X. Chen

Online 28 May 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.043
wR factor = 0.119
Data-to-parameter ratio = 11.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT031_ALERT_4_B Refined Extinction Parameter within Range ......       1.67 Sigma 

Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.79 mm    
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C5      ..       2.93 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C3     ..  C3      ..       3.18 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C3     ..  C3      ..       3.18 Ang.  

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

   3 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion