[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o614-o615
[ doi:10.1107/S1600536813007903 ]

5,11-Ditosyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione acetic acid hemisolvate

N. Abbassi, O. Bassou, E. M. Rakib, M. Saadi and L. El Ammari


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A PLAT900_ALERT_1_A No Matching Reflection File Found .............. !
Alert level B PLAT420_ALERT_2_B D-H Without Acceptor *O7 - *H8 ... ?
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT480_ALERT_4_C Long H...A H-Bond Reported H8 .. O3 .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H30C .. O3 .. 2.71 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of O7 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C30 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C21 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C28
1 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 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 0 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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