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Acta Cryst. (2005). E61, o2542-o2544  [ doi:10.1107/S1600536805020210 ]

2,7-Dibromo-2,4,6-cycloheptatrien-1-one (2,7-dibromotropone)

K. Kubo, T. Matsumoto and A. Mori

Online 16 July 2005


Key indicators

checkCIF/PLATON results

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Alert level C PLAT431_ALERT_2_C Short Inter HL..A Contact Br1 .. Br1 .. 3.41 Ang. PLAT703_ALERT_1_C Torsion Calc 154.5(4), Rep 154.0(10), Dev.. 1.25 Sigma BR1 -C2 -C1 -BR1 1.555 1.555 1.555 4.555 PLAT733_ALERT_1_C Torsion Calc 154.5(4), Rep 154.0(10) ...... 2.50 su-Rat BR1 -C2 -C1 -BR1 1.555 1.555 1.555 4.555 PLAT734_ALERT_1_C Contact Calc 2.8068(11), Rep 2.8068(5) ...... 2.20 su-Rat BR1 -C1 1.555 1.555 PLAT734_ALERT_1_C Contact Calc 2.8068(11), Rep 2.8068(5) ...... 2.20 su-Rat C1 -BR1 1.555 4.555 PLAT734_ALERT_1_C Contact Calc 3.4115(12), Rep 3.4115(3) ...... 4.00 su-Rat BR1 -BR1 1.555 3.557
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 5 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 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

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