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Acta Cryst. (2007). E63, o4148  [ doi:10.1107/S1600536807045576 ]

rac-Diethyl [(1S,2R)-1-(4-bromophenyl)-6-hydroxy-3-oxo-2,3-dihydro-1H-benzo[f]chromen-2-yl]phosphonate

H. Krawczyk, L. Albrecht, J. Wojciechowski and W. M. Wolf


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Alert level A PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.31 Ratio
Author Response: This problem follow from the disorder detected in the dietoxyphosphoryl substituent. The disordered H's have higher U's than remaining well defined H's atoms. X-ray data were collected at 90 K, the final R for all reflections is 0.026. The structure refinement was stable and all H's (including those disordered) were localized on a difference Fourier maps.

Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.67 Ratio
Alert level C PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 11 PLAT301_ALERT_3_C Main Residue Disorder ......................... 3.00 Perc. PLAT431_ALERT_2_C Short Inter HL..A Contact Br .. O1 .. 3.18 Ang.
Alert level G PLAT793_ALERT_1_G Check the Absolute Configuration of C2 = ... R PLAT793_ALERT_1_G Check the Absolute Configuration of C3 = ... S
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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