[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o986
[ doi:10.1107/S160053681301386X ]

[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone

W.-F. Zhang, J.-H. Xia, Z.-H. Xu, L.-B. Wang and C.-Y. Yu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.26 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O2B -- N3B .. 5.5 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 15.241 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.196 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 2 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 24 PLAT793_ALERT_4_G The Model has Chirality at C5A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5B (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C6A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C6B (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 40 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 56 % PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 5 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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