[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o581-o582
[ doi:10.1107/S1600536813007307 ]

1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl}phenoxy)phenyl]iminiumylmethyl}naphthalen-2-olate

D. Haffar, D. Daoud, T. Douadi, L. Bouzidi and S. Chafaa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = triclinic PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 2
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C23 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O2 PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O6 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C18 -C23 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C52 -C57 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0051 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 13.774 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 49 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 4 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 10.23
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00100 Ang. PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.01000 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C2 -C7 1.42 Ang. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C34 H24 N2 O3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 14 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster