(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1699-o1701 [ doi:10.1107/S160053680402135X ]

5-Benzyl-8-(E)-benzylidene-6,7,7a,10a-tetrahydro-5H-cis-cyclopenta[5,6]pyrano[3,3-c]quinolin-6-one

S. Aravindan, N. Sampath, M. N. Ponnuswamy, N. Kalaivasan, R. Raghunathan and M. Nethaji

Online 11 September 2004

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.004 Å
R factor = 0.059
wR factor = 0.132
Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low ....       0.90       
PLAT480_ALERT_4_B Long H...A H-Bond Reported H19    ..  CG3     ..       3.29 Ang.  

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.76 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C27     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C25     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H29    ..  O2      ..       2.68 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H24B   ..  CG1     ..       3.03 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H27    ..  CG2     ..       3.09 Ang.  
PLAT481_ALERT_4_C Long D...A H-Bond Reported C27    ..  CG2     ..       3.91 Ang.  
PLAT481_ALERT_4_C Long D...A H-Bond Reported C19    ..  CG3     ..       4.03 Ang.  

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   9 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
   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
   7 ALERT type 4 Improvement, methodology, query or suggestion