[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o947-o948
[ doi:10.1107/S1600536813013573 ]

Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

J. Yu, S. Tang, J. Zeng and Z. Yan

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.310 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.978 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.31 PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0071 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H22 .. O1 .. 2.69 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.596 103 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 22 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 79.48
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.20 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00600 Deg. PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 36 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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