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Acta Cryst. (2013). E69, o1291-o1292  [ doi:10.1107/S1600536813019594 ]

5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione

R. Vishnupriya, J. Suresh, S. Sivakumar, R. R. Kumar and P. L. N. Lakshman


Key indicators

checkCIF/PLATON results

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Alert level A PLAT073_ALERT_1_A H-atoms ref, but _hydrogen_treatment reported as constr
Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.696 Test value = 0.675 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.70 eA-3 PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C32 - C37 ... 1.38 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C36 - C37 ... 1.36 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C71 - C72 ... 1.36 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C72 - C73 ... 1.37 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.090 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 20 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5 % PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 115 F1 -C37 -H33' 1.555 1.555 1.555 4.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 130 F1' -C33 -H33 1.555 1.555 1.555 1.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 139 F2 -C72 -H76' 1.555 1.555 1.555 2.40 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 154 F2' -C76 -H76 1.555 1.555 1.555 3.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 163 C37 -F1 -H33' 1.555 1.555 1.555 8.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 164 C33 -F1' -H33 1.555 1.555 1.555 3.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 165 C72 -F2 -H76' 1.555 1.555 1.555 5.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 166 C76 -F2' -H76 1.555 1.555 1.555 7.00 Deg. PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C13 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 23
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 18 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 12 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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