(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o918-o919 [ doi:10.1107/S1600536805006689 ]

Isopropyl 2,5-anhydro-4-(2,5-anhydro-4-azido-3-O-tert-butyldiphenylsilyl-4-deoxy-L-ribonylamino)-3-O-tert-butyldiphenylsilyl-4-deoxy-L-ribonate

S. Humphreys, D. J. Watkin, G. J. Sanjayan, G. E. Tranter, A. A. Edwards and G. W. J. Fleet

Online 11 March 2005

Key indicators

Single-crystal X-ray study
T = 190 K
Mean (C-C) = 0.006 Å
R factor = 0.085
wR factor = 0.119
Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.69 Ratio 
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       6.49 Ratio 

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       3.80 Ratio 

Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.80 mm    
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.62 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C6     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C33     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C32     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C41     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6       
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H41    ..  H421    ..       2.13 Ang.  

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           30.02
           From the CIF: _reflns_number_total               6788
           Count of symmetry unique reflns         6935
           Completeness (_total/calc)             97.88%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present          yes

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion