(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1793-o1794 [ doi:10.1107/S1600536804022457 ]

(2RS,3RS,1'SR,2'SR,3'RS)-2-(2',3'-Dihydro-1'-hydroxy-3'-phenyl-1H-inden-2'-yl)-2,3-dihydro-3-phenylinden-1-one: isomer (I)

S. Ohba, Y. Yamamoto and K. Tanaka

Online 18 September 2004

Key indicators

Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.004 Å
R factor = 0.054
wR factor = 0.167
Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc. 
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.58 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C12     ..       5.10 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C23     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C29     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C21     

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   5 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
   1 ALERT type 4 Improvement, methodology, query or suggestion