(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1061-o1063 [ doi:10.1107/S1600536805007634 ]

2,9-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione

T. Senju, T. Hoki and J. Mizuguchi

Online 25 March 2005

Key indicators

Single-crystal X-ray study
T = 93 K
Mean (C-C) = 0.012 Å
R factor = 0.100
wR factor = 0.350
Data-to-parameter ratio = 10.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91

Author Response: A two-dimensional detector (IP) was used in combination with a Cu target as radiation.


Alert level B
PLAT340_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         12       
PLAT415_ALERT_2_B Short Inter D-H..H-X       H1     ..  H1N     ..       1.99 Ang.  

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           68.23
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               1222
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         1334
           Completeness (_total/calc)             91.60%
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.350
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.92       
PLAT084_ALERT_2_C High R2 Value ..................................       0.35       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.03       
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1N    ...          ?       
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl1    ..  O1      ..       3.08 Ang.  

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   7 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
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion