[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2814
[ doi:10.1107/S1600536812036720 ]

N-[(2S)-2-Chloropropanoyl]glycine

H. Sun, Y. Tang, Y. Li, N. Xu and H. Xu


Key indicators

checkCIF/PLATON results

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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 25.38 From the CIF: _reflns_number_total 1413 Count of symmetry unique reflns 854 Completeness (_total/calc) 165.46% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 559 Fraction of Friedel pairs measured 0.655 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack ! PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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