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Acta Cryst. (2012). E68, o107  [ doi:10.1107/S1600536811051877 ]

20,23,26,29,32,35,38,41-Octaoxa-5,9,13-triazapentacyclo[15.14.10.13,30.17,11.115,19]tetratetraconta-1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate

S. Pan, D. Yang, Y. Yang and L. Jiang

Online 14 December 2011


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Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O9 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O10 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C35 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C23 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0083 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C35 - C36 ... 1.39 Ang.
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 25.99 From the CIF: _reflns_number_total 3626 Count of symmetry unique reflns 3626 Completeness (_total/calc) 100.00% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 5 Units
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 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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