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Acta Cryst. (2005). E61, o2665-o2667  [ doi:10.1107/S1600536805022774 ]

1-(Carboxymethyl)uracil

J. Xiong, M.-C. Liu and J.-X. Yuan

Online 23 July 2005


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checkCIF/PLATON results

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Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10 PLAT731_ALERT_1_C Bond Calc 0.83(6), Rep 0.82(2) ...... 3.00 su-Rat O4 -H4 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(7), Rep 0.84(2) ...... 3.50 su-Rat N2 -H2 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.83(6), Rep 0.82(2) ...... 3.00 su-Rat O4 -H4 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(7), Rep 0.84(2) ...... 3.50 su-Rat N2 -H2 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.00(7), Rep 2.00(3) ...... 2.33 su-Rat H2 -O3 1.555 2.564
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.24 From the CIF: _reflns_number_total 621 Count of symmetry unique reflns 621 Completeness (_total/calc) 100.00% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 5 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 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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