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Acta Cryst. (2007). E63, o3746  [ doi:10.1107/S1600536807038615 ]

2,4-Di-tert-butyl-6-(4-nitrophenyliminomethyl)phenol

Y.-F. Sun, X.-L. Wang, S.-Y. Ma and H.-J. Chen


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Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.86
Author Response: This problem has arisen because there is not good quality crystals and the ata collected with a R-AXIS-IV. Several samples were screened. The selected sample exhibited the strongest diffraction behavior. Hence the precision of the structure is lowered.Validation issues a number of other alerts which are related to this issue.

Alert level B REFLT03_ALERT_3_B Reflection count < 90% complete (theta max?) From the CIF: _diffrn_reflns_theta_max 25.00 From the CIF: _diffrn_reflns_theta_full 25.00 From the CIF: _reflns_number_total 3066 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 3586 Completeness (_total/calc) 85.50% PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low .... 0.86 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C14
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 40 Perc. PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT230_ALERT_2_C Hirshfeld Test Diff for C6 - C7 .. 5.26 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C14 - C16 .. 6.53 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 8
1 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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