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Acta Cryst. (2005). E61, o2730-o2732  [ doi:10.1107/S1600536805023718 ]

(1R,2R,2'S)-2-(4-Methylphenylsulfonamido)-1-(pyrrolidine-2'-carboxamido)cyclohexane

X. Li, J. Chen, X. Meng and W. Xiao

Online 30 July 2005


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Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.20 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT301_ALERT_3_C Main Residue Disorder ......................... 4.00 Perc. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT420_ALERT_2_C D-H Without Acceptor N3 - H3A ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. O2 .. 2.61 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A .. O1 .. 2.61 Ang.
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 25.00 From the CIF: _reflns_number_total 3506 Count of symmetry unique reflns 2024 Completeness (_total/calc) 173.22% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1482 Fraction of Friedel pairs measured 0.732 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 3 ALERT type 4 Improvement, methodology, query or suggestion

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