[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2619-o2620
[ doi:10.1107/S160053681203365X ]

N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4''-difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide

H.-K. Fun, T. S. Chia, S. Samshuddin, B. Narayana and B. K. Sarojini


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B DIFMN02_ALERT_2_B The minimum difference density is < -0.1*ZMAX*1.00 _refine_diff_density_min given = -0.902 Test value = -0.900
Alert level C DIFMN03_ALERT_1_C The minimum difference density is < -0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT098_ALERT_2_C Large Reported Min. (Negative) Residual Density -0.90 eA-3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.676 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 30
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 33 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 16 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 14 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 92 N2B -N1B -N2X 1.555 1.555 1.555 13.90 Deg. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 45 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 18 PLAT931_ALERT_5_G Check Twin Law ( 1 0 0)[ ] Estimated BASF 0.07
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 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 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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