[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1730
[ doi:10.1107/S1600536813029401 ]

Ethyl 2-[6-(4-methyl­benzo­yl)-7-phenyl-2,3-di­hydro-1H-pyrrolizin-5-yl]-2-oxo­acetate

J. Zhong, W. Sun, F. Zhang, L. Liu and H. Liu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C17 -- C20 .. 9.5 su
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C16 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C17 Check PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C14 -C19 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0048 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C9 - C10 ... 1.53 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H20B .. O3 .. 2.64 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12B .. O2 .. 2.63 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12A .. O1 .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A .. O4 .. 2.70 Ang. PLAT715_ALERT_1_C D-H Unknown or Inconsistent Label .......... H19 C19 H19 PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... H19 H19 CG4 PLAT718_ALERT_1_C D-H..A Unknown or Inconsistent Label .......... H19 C19 H19 CG4 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 18.824 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.070 Check PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7 Why ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 17 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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