(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2027-o2029 [ doi:10.1107/S1600536805017113 ]

Diethyl 2,8-diamino-4,10-bis(3-nitrophenyl)naphtho[1,2-b;6,5-b']dipyran-3,9-dicarboxylate dimethylformamide disolvate

Y.-C. Wang, X.-S. Wang, Z.-S. Zeng and D.-Q. Shi

Online 10 June 2005

Key indicators

Single-crystal X-ray study
T = 289 K
Mean (C-C) = 0.004 Å
R factor = 0.071
wR factor = 0.242
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C10    -   C11     ..       9.17 su    

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.56 Ratio 
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.74 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N3     
PLAT731_ALERT_1_C Bond    Calc     0.86(3), Rep   0.859(10) ......       3.00 su-Rat
              N1   -H1B     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.86(3), Rep   0.859(10) ......       3.00 su-Rat
              N1   -H1B     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     2.02(3), Rep   2.015(13) ......       2.31 su-Rat
              H1B  -O6      1.555   1.555                                       

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

   4 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion