[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o959
[ doi:10.1107/S1600536813013846 ]

N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate

X.-Z. Huang, X.-P. Rao and Y.-J. Cui


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C24 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0082 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C23 - C24 ... 1.38 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H18C .. CL .. 2.84 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2B .. CL .. 2.86 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.784 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.056 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6 PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.14 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 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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