[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o541-o542
[ doi:10.1107/S1600536814006990 ]

1'-Allyl-1-(3,4-di­methyl­benzo­yl)-2-(4-methyl-1,3-thia­zol-5-yl)-1,2,5,6,7,7a-hexa­hydro­spiro­[pyrrolizine-3,3'-indolin]-2'-one

V. Karthikeyan, V. Ramkumar and R. J. Karunakaran


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT015_ALERT_5_A No _shelx_hkl_file record in SHELXL20xy CIF ... Please Do ! PLAT707_ALERT_1_A D...A Calc 15.399(3), Rep 3.533(3), Dev.. 3955.33 Sigma C30 -O2 1.555 4.566 PLAT726_ALERT_2_A H...A Calc 16.15000, Rep 2.57000 Dev... 13.58 Ang. H30A -O2 1.555 4.566 PLAT728_ALERT_1_A D-H..A Calc 37.00, Rep 178.00 Dev... 141.00 Degree C30 -H30A -O2 1.555 1.555 4.566 # 131
Alert level B Crystal system given = monoclinic PLAT019_ALERT_1_B _diffrn_measured_fraction_theta_full/_max < 1.0 0.975 Why ?
Alert level C PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.678 Why ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 49 Why ? PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 Note
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check PLAT793_ALERT_4_G The Model has Chirality at C7 ............. S Verify PLAT793_ALERT_4_G The Model has Chirality at C12 ............. S Verify PLAT793_ALERT_4_G The Model has Chirality at C13 ............. R Verify PLAT793_ALERT_4_G The Model has Chirality at C14 ............. R Verify PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 66 %
4 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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