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Acta Cryst. (2013). E69, o1297  [ doi:10.1107/S1600536813019788 ]

N-tert-Butoxycarbonyl-[alpha]-(2-fluorobenzyl)-L-proline

P. Rajalakshmi, N. Srinivasan, R. V. Krishnakumar, I. A. Razak and M. M. Rosli


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Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.978 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4B .. 0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C5 -- C4B .. 0.22 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H15A .. F1 .. 2.59 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.377
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT230_ALERT_2_G Hirshfeld Test Diff for C3 -- C4A .. 5.5 su PLAT230_ALERT_2_G Hirshfeld Test Diff for C4A -- C5 .. 5.4 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 4 % PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 8 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 51
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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