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Acta Cryst. (2013). E69, o1074  [ doi:10.1107/S1600536813015663 ]

3-(Prop-2-yn-1-yloxy)phthalonitrile

C. Y. Jan, N. B. H. Shamsudin, A. L. Tan, D. J. Young and E. R. T. Tiekink


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Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.250 PLAT148_ALERT_3_C su on the b - Axis is (Too) Large ........ 0.0070 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0052 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.509 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.052 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C10 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C3 - C11 ... 1.43 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 18 O1 -C7 -C8 -C9 74.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 C1 -C2 -C10 -N1 123.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20 C3 -C2 -C10 -N1 -57.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 C4 -C3 -C11 -N2 153.00 24.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 22 C2 -C3 -C11 -N2 -26.00 25.00 1.555 1.555 1.555 1.555
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 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 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 6 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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