[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o82
[ doi:10.1107/S1600536812049276 ]

6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide

V. B. Rybakov, S. V. Shishkina, I. V. Ukrainets, N. Y. Golik and I. N. Chernenok


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 36 Perc.
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N1 -- C9 .. 5.3 su PLAT234_ALERT_4_C Large Hirshfeld Difference C2 -- C12 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C4 -- C5 .. 0.16 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0114 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H4 .. BR2 .. 3.06 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H10B .. BR2 .. 2.99 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H11B .. BR4 .. 3.02 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 92.301 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.748 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 13.286 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.162 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.585 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.392 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 74
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00900 Deg. PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 13 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 19 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 12 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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