(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o2075-o2076 [ doi:10.1107/S1600536806014838 ]

N,N'-Bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine

L.-Q. Huang, Q.-Y. Cao, C. Yi, C.-J. Yang and X.-C. Gao

Online 29 April 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.041
wR factor = 0.124
Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C25    -   C26     ..      11.44 su    

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.754     1.000
            Tmin(prime) and Tmax expected:      0.965     0.994
            RR(prime) =      0.777
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.78       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.57 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C27    -   C28     ..       6.02 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C29    -   C30     ..       5.21 su    

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