[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o500
[ doi:10.1107/S1600536813005291 ]

Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate

B. Balakrishnan, M. Nandakumar, P. R. Seshadri and A. K. Mohanakrishnan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O5 -- C28 .. 6.5 su PLAT480_ALERT_4_C Long H...A H-Bond Reported H5 .. O4 .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H11 .. O2 .. 2.66 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 9 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. 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 ................... 11 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 90 C26' -C25 -C26 1.555 1.555 1.555 26.70 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 101 H25A -C25 -H25C 1.555 1.555 1.555 26.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 107 H25B -C25 -H25D 1.555 1.555 1.555 26.40 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 122 O5' -C28 -O5 1.555 1.555 1.555 26.30 Deg. PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C23 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C27 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 84 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 65 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 17 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 10 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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