[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1565
[ doi:10.1107/S1600536813025488 ]

4,6-Di-tert-butyl-2,3-dihydroxybenzaldehyde

M. Arsenyev, E. Baranov, S. Chesnokov and G. Abakumov


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT355_ALERT_3_A Long O-H (X0.82,N0.98A) O2A - H2A ... 1.15 Ang.
Author Response: Apparently it's due to presence of a shortened intramolecular H...O interaction with the atom H2A

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C8A -- C9A .. 5.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C8B -- C11B .. 6.6 su PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C15 H22 O3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.407 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 22
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.70 mm PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 8 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C15 H22 O3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 10 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
1 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 7 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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