[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1533
[ doi:10.1107/S1600536813023982 ]

8-Bromo-3-(4-ethylphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c]isoxazole-3a-carbonitrile

J. Kanchanadevi, G. Anbalagan, J. Srinivasan, M. Bakthadoss, B. Gunasekaran and V. Manivannan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.2 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 6.6 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C24 .. 0.17 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C23 - C24 ... 1.37 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C16 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 59
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: All the six authors have contribution in this paper. 1st and 3rd authors are students involved in the synthesis, preparation of the sample and basic crystallography. 2nd author is the supervisor of 1st author. 4th author is the supervisor of 3rd author.6th author is co-supervisors of 1st author. 5th author is involved in final crystallography and writeup and also involved in the biological study.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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