[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1510-o1511
[ doi:10.1107/S1600536813023532 ]

(E)-2-[4-(Diethylamino)styryl]-1-methylquinolinium 4-fluorobenzenesulfonate monohydrate

H.-K. Fun, N. Kaewmanee, K. Chanawanno, N. Boonnak and S. Chantrapromma


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for S1 -- O3 .. 7.3 su
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- O1 .. 6.9 su PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C23 .. 5.5 su PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C1B -C6B 1.36 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0053 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.643 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 7
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 48 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 48 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for N2B PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C20B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 69 % PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C1B -C6B 0.16 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 14 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 761 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 54 % PLAT960_ALERT_3_G Number of Intensities with I < - 2*sig(I) ... 2
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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