(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1109-o1111 [ doi:10.1107/S1600536805008780 ]

1-Acetyl-2-phenylperhydroquinolin-4-yl acetate

R. Padmavathy, K. Saminathan, D. Natarajan, N. Bhavani and K. Sivakumar

Online 25 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
Disorder in main residue
R factor = 0.049
wR factor = 0.154
Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature         293       
PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature ....        293       
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.32 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C7     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C42     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       4.00 Perc. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A    ..  O12     ..       2.63 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13C   ..  O12     ..       2.78 Ang.  

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

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