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Acta Cryst. (2008). E64, o1986  [ doi:10.1107/S160053680802970X ]

Pheophorbide b ethyl ester from a chlorella vulgaris dietary supplement

C. F. Chee, N. A. Rahman, S. M. Zain and S. W. Ng


Key indicators

checkCIF/PLATON results

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Alert level B PLAT410_ALERT_2_B Short Intra H...H Contact H4A .. H37 .. 1.87 Ang.
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.04 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.75 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 7
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 27.50 From the CIF: _reflns_number_total 3633 Count of symmetry unique reflns 3639 Completeness (_total/calc) 99.84% 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 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT791_ALERT_4_G Confirm the Absolute Configuration of C10 ... R PLAT791_ALERT_4_G Confirm the Absolute Configuration of C12 ... R PLAT791_ALERT_4_G Confirm the Absolute Configuration of C20 ... S
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 0 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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