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Acta Cryst. (2013). E69, o1091-o1092  [ doi:10.1107/S1600536813015869 ]

2-[1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)propyl]cyclohexanol

Í. Çelik, M. Akkurt, H. Gezegen, M. M. Üremis and N. Duteanu


Key indicators

checkCIF/PLATON results

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Alert level B PLAT930_ALERT_2_B Check Twin Law ( 1 1 -1)[ 0 4 -1] Estimated BASF 0.60
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0077 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H2A .. H2A .. 2.10 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 24.304 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.356 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.104 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 13
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 18 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT158_ALERT_4_G The Input Unitcell is NOT Standard/Reduced ..... ? Check PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C13 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C15 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 149 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT931_ALERT_5_G Check Twin Law ( )[ 0 4 -1] Estimated BASF 0.60
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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