(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o568-o570 [ doi:10.1107/S1600536804005641 ]

N-Amino-N-(2,3,4-tri-O-acetyl--D-xylopyranosyl)thiocarbamide

B. Yang, S.-S. Zhang, Y.-F. Wang, X.-M. Li and K. Jiao

Online 24 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.052
wR factor = 0.133
Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
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 ....         C9     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C11     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           26.41
           From the CIF: _reflns_number_total               2772
           Count of symmetry unique reflns         1977
           Completeness (_total/calc)            140.21%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       795
           Fraction of Friedel pairs measured     0.402
           Are heavy atom types Z>Si present          yes

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

   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion