(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1362-o1364 [ doi:10.1107/S1600536804016800 ]

N,N'-Dicyclohexyl-N-[(1RS,2RS,6SR)-4-(4-methoxyphenyl)-2,6-dimethyl-3-cyclohexene-1-carbonyl]urea: an unusual crystalline enantiomeric pairing

S. Xie, C. Y. Meyers and P. D. Robinson

Online 17 July 2004

Key indicators

Single-crystal X-ray study
T = 155 K
Mean (C-C) = 0.004 Å
R factor = 0.073
wR factor = 0.232
Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....         C3     

Alert level C
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C5     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C4     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C24     
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C4     -   C5     ...       1.41 Ang.  

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion