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Acta Cryst. (2012). E68, o31  [ doi:10.1107/S1600536811051609 ]

(2,4,6-Trimethylphenyl)boronic acid-triphenylphosphine oxide (1/1)

S. Rosca, M. Olaru and C. I. Rat

Online 7 December 2011


Key indicators

checkCIF/PLATON results

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Alert level C ABSMU01_ALERT_1_C The ratio of given/expected absorption coefficient lies outside the range 0.99 <> 1.01 Calculated value of mu = 0.132 Value of mu given = 0.130 PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C7 -C12 1.36 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0063 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 67 Perc. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 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 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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