[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2011). E67, o546  [ doi:10.1107/S1600536811003552 ]

2,3-Dibromo-3-(5-nitro-2-furyl)-1-phenylpropan-1-one

T. Shahani, H.-K. Fun, Nithinchandra and B. Kalluraya

Online 2 February 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C12 - C13 ... 1.35 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 9 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 40
Alert level G PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 23.00 Perc. PLAT432_ALERT_2_G Short Inter X...Y Contact Br1B .. C13 .. 3.26 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact Br1B .. C12 .. 3.28 Ang. PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 29 C8A -C7 -C8B 1.555 1.555 1.555 24.70 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 60 C10A -C11 -C10B 1.555 1.555 1.555 20.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 71 O2A -C13 -O2B 1.555 1.555 1.555 18.20 Deg. PLAT793_ALERT_4_G The Model has Chirality at C8A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C9A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C8B (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C9B (Verify) .... R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 13 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 2 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster