[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o758
[ doi:10.1107/S160053681301026X ]

3-[(1-Bromonaphthalen-2-yl)methoxy]-5,5-dimethylcyclohex-2-enone

L.-L. Fang, N. Liu and X.-Y. Zhang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C11 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C19 .. 0.17 Ang. PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0064 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 14 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C13' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 55 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 114 C9 -O1 -C9' 1.555 1.555 1.555 23.10 Deg. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 72
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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