[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1583
[ doi:10.1107/S1600536813025671 ]

(E)-2-{[1-(3,11-Dimethyl-4-methylene-10-oxo-1-phenyl-4,5,10,11-tetrahydro-1H-benzo[b]pyrazolo[3,4-f][1,5]diazocin-5-yl)ethylidene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide

F. Meneghetti and B. Maggio


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 19 %
Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 7.04 PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C3 .. 5.6 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C14 -- C15 .. 5.2 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C25 -- C26 .. 6.2 su PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0067 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 60 Ang3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.015 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 6
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 0.02 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 2 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 6 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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