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[Contents scheme]

Acta Cryst. (2013). E69, o358
[ doi:10.1107/S1600536813001906 ]

3-[(4-Oxo-4H-thiochromen-3-yl)methyl]-4H-thiochromen-4-one

M. Somasundaram, S. Athavan, K. K. Balasubramanian, R. Saiganesh and S. Kabilan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.941
Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 83
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 28.28 From the CIF: _reflns_number_total 1631 From the CIF: _diffrn_reflns_limit_ max hkl 13. 15. 14. From the CIF: _diffrn_reflns_limit_ min hkl -13. -15. -8. TEST1: Expected hkl limits for theta max Calculated maximum hkl 15. 15. 14. Calculated minimum hkl -15. -15. -14. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 87 PLAT950_ALERT_5_G Reported and Calculated Hmax Values Differ by .. 2
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 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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