(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1892-o1894 [ doi:10.1107/S160053680402361X ]

9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide

A. S. Batsanov and I. F. Perepichka

Online 30 September 2004

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.007 Å
R factor = 0.041
wR factor = 0.106
Data-to-parameter ratio = 9.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT201_ALERT_2_A Isotropic non-H Atoms in Main Residue(s) .......         18       

Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C15    ...       1.43 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C16    ...       1.45 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O71    ..  C15     ..       2.99 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           75.07
           From the CIF: _reflns_number_total               1942
           Count of symmetry unique reflns         1914
           Completeness (_total/calc)            101.46%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured        28
           Fraction of Friedel pairs measured     0.015
           Are heavy atom types Z>Si present          yes

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   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
   2 ALERT type 4 Improvement, methodology, query or suggestion