[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o424
[ doi:10.1107/S1600536813004625 ]

5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene

Z. Li, H. Ma, Y. Lai, L. Chen and X. Sun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.0 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.9 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O5 -- C1 .. 6.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O6 -- C13 .. 5.6 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O6 -- C38 .. 6.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C26 -- C41 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C30 -- C31 .. 5.7 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O4 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C30 - C31 ... 1.38 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C33 - C34 ... 1.42 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C36 - C37 ... 1.43 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 12.170 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.209 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 11 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 8
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 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 17 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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