[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o384
[ doi:10.1107/S1600536813004170 ]

2-Nitro-1,3-dinitrooxypropane

M. M. Breiner, D. E. Chavez and D. A. Parrish


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 1.000 From the CIF: _refine_ls_abs_structure_Flack_su 3.000 PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT230_ALERT_2_C Hirshfeld Test Diff for O6 -- N7 .. 5.1 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High . 3.000 PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ? PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.60
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 1 ALERT type 5 Informative message, check

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