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Acta Cryst. (2013). E69, o1011-o1012  [ doi:10.1107/S1600536813014645 ]

rac-3-(4-Hydroxybenzyl)chroman-4-one

S. Shalini, C. R. Girija, L. Simon, K. K. Srinivasan and T. V. Venkatesha


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Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C7 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C1 -C6 1.37 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported C16 .. CG1 .. 4.02 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C16 H14 O3 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.795 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT230_ALERT_2_G Hirshfeld Test Diff for C7 -- C8' .. 6.0 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 11 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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