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Acta Cryst. (2005). E61, o2724-o2726  [ doi:10.1107/S1600536805023822 ]

Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenylsilyl-L-ribonate

A. F. G. Glawar, D. J. Watkin, G. J. Sanjayan, G. E. Tranter, A. A. Edwards and G. W. J. Fleet

Online 27 July 2005


Key indicators

checkCIF/PLATON results

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Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.37 Ratio PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.70 Ratio PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 8.19 Ratio PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 10.00 Ratio PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C28 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C128
Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.700 0.970 Tmin(prime) and Tmax expected: 0.946 0.973 RR(prime) = 0.742 Please check that your absorption correction is appropriate. PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.95 PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.74 PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 87 PerFit
Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT213_ALERT_2_C Atom C29 has ADP max/min Ratio ............. 3.20 prolat PLAT213_ALERT_2_C Atom C130 has ADP max/min Ratio ............. 3.50 prolat PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C40 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C118 PLAT390_ALERT_3_C Deviating Methyl C29 X-C-H Bond Angle ...... 100.00 Deg. PLAT395_ALERT_2_C Deviating X-O-Y Angle from 120 Deg for O2 140.60 Deg. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 52
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 30.01 From the CIF: _reflns_number_total 17372 Count of symmetry unique reflns 11468 Completeness (_total/calc) 151.48% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 5904 Fraction of Friedel pairs measured 0.515 Are heavy atom types Z>Si present yes
6 ALERT level A = In general: serious problem 4 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 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

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