[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o870
[ doi:10.1107/S160053681301204X ]

Bis(2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate

P. Krishnan, K. Gayathri, N. Sivakumar, B. Gunasekaran and G. Anbalagan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT036_ALERT_1_C No s.u. Given for Flack Parameter .............. ? PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 7.15 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0044 Ang PLAT417_ALERT_2_C Short Inter D-H..H-D H9B .. H11A .. 2.14 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 14 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT791_ALERT_4_G Note: The Model has Chirality at N3 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C11 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C15 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C16 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C17 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C19 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 16 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 19 PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.40
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 14 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 2 ALERT type 5 Informative message, check

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