[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o675-o676
[ doi:10.1107/S1600536813008477 ]

N,N-Diphenyl-4-(1H-pyrrolo[1,2-f][1,10]phenanthrolin-2-yl)aniline ethanol monosolvate

J.-S. Luo, Y.-Y. Zhang, Z.-D. Liu and Y.-P. Tian

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.4 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for C6 -- C13 .. 10.9 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C13 -- C14 .. 11.9 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C23 -- C24 .. 7.7 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C24 -- C25 .. 27.0 su PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C25
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C21 -- C22 .. 5.3 su PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C6 - C13 ... 1.38 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C13 - C14 ... 1.33 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 9 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
Alert level G 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 ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT343_ALERT_2_G Check sp? Angle Range in Main Residue for .. C13 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6
0 ALERT level A = Most likely a serious problem - resolve or explain 6 ALERT level B = A potentially serious problem, consider carefully 5 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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