(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1677-o1679 [ doi:10.1107/S1600536804021361 ]

9-(4-Fluorophenyl)-N-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione monohydrate

S. Tu, F. Fang and S. Zhu

Online 4 September 2004

Key indicators

Single-crystal X-ray study
T = 288 K
Mean (C-C) = 0.003 Å
R factor = 0.040
wR factor = 0.102
Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.14 Ratio 
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O3     -   N       ..       9.90 su    

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16    -   C17     ..       5.53 su    
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.858(10) ......       3.00 su-Rat
              O3   -H3O     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.858(10) ......       3.00 su-Rat
              O3   -H3O     1.555   1.555                                       

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   6 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
   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