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Acta Cryst. (2013). E69, o1295-o1296  [ doi:10.1107/S1600536813019417 ]

2,2'-{[2-(2-Hydroxyphenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol

A. Rivera, L. Cárdenas, J. Ríos-Motta, M. Kuceráková and M. Dusek


Key indicators

checkCIF/PLATON results

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Alert level B PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............ 65.81 Deg.
Author Response: This limit is close to the maximal angle, which can be achieved with the double-wavelength diffractometer Gemini, where the collimator for Mo complicates accessibility of high angles. Moreover, the sample was weakly diffracting and the reflections with d below 0.88A were mostly unobserved
PLAT410_ALERT_2_B Short Intra H...H Contact  H1C42  ..  H1C40'  ..       1.83 Ang. 
PLAT911_ALERT_3_B Missing # FCF Refl Between THmin & STh/L=  0.597       1974      

Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.56 PLAT482_ALERT_4_C Small D-H..A Angle Rep for C26' .. C44' .. 94.63 Deg. PLAT482_ALERT_4_C Small D-H..A Angle Rep for C44' .. N3 .. 99.67 Deg. PLAT482_ALERT_4_C Small D-H..A Angle Rep for C44' .. C26' .. 94.63 Deg. PLAT482_ALERT_4_C Small D-H..A Angle Rep for C40' .. C44 .. 90.47 Deg. PLAT722_ALERT_1_C Angle Calc 105.00, Rep 103.89 Dev... 1.11 Deg. C26' -C26 -H1C26 1.555 1.555 1.555 # 134 PLAT722_ALERT_1_C Angle Calc 111.00, Rep 112.21 Dev... 1.21 Deg. C26 -C26' -H1C26 1.555 1.555 1.555 # 154 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 52 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 15 C26 -N3 -C26' 1.555 1.555 1.555 10.60 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 22 C40 -N1 -C40' 1.555 1.555 1.555 26.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 135 C40 -C26 -C40' 1.555 1.555 1.555 25.90 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 156 C40 -C26' -C40' 1.555 1.555 1.555 26.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 220 C26 -C40 -C26' 1.555 1.555 1.555 10.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 234 H1C40-C40 -H2C40 1.555 1.555 1.555 13.73 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 241 C26 -C40' -C26' 1.555 1.555 1.555 10.50 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 254 H1C40-C40' -H2C40 1.555 1.555 1.555 15.53 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 284 C26 -H1C26-C26' 1.555 1.555 1.555 15.48 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 287 C40 -H1C40-C40' 1.555 1.555 1.555 41.33 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 291 C26 -H1C26-C26' 1.555 1.555 1.555 16.26 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 294 C40 -H2C40-C40' 1.555 1.555 1.555 43.68 Deg. PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C10 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C18 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C40 (Verify) .... R PLAT808_ALERT_5_G No Parseable SHELXL Style Weighting Scheme Found ! Check PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 100 % PLAT929_ALERT_5_G No Weight Pars,Obs and Calc R1,wR2,S not checked ! Info PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 26 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 21 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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