(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2267-o2269 [ doi:10.1107/S1600536805019276 ]

Ethyl 2,2''-dioxo-2',3',5',6',7',7a'-hexahydroacenaphthene-1-spiro-3'-1'H-pyrrolizine-2'spiro-1''-acenaphthene-1-carboxylate

G. Usha, S. Selvanayagam, D. Velmurugan, K. Ravikumar, R. R. Durga and R. Raghunathan

Online 24 June 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.061
wR factor = 0.177
Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.92 Ratio 
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.21 Ratio 

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.09       
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C32    -   C33     ..       5.50 su    
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        C32     

   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

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