[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o179
[ doi:10.1107/S1600536812051574 ]

2,4,6,8-Tetrakis(2-fluorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

D. H. Park, V. Ramkumar and P. Parthiban


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.968 PLAT230_ALERT_2_C Hirshfeld Test Diff for F1 -- C13 .. 6.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for F2 -- C19 .. 7.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C11 -- C12 .. 5.3 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C8 -C13 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C14 -C19 1.37 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C20 - C21 ... 1.38 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C20 - C25 ... 1.37 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C21 - C22 ... 1.37 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C24 - C25 ... 1.38 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.895 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 160
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 3 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 115 F3A -C21 -H21 1.555 1.555 1.555 1.70 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 121 F3 -C25 -H21A 1.555 1.555 1.555 1.10 Deg. PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 864
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 15 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 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 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

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