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Acta Cryst. (2012). E68, o144  [ doi:10.1107/S1600536811053372 ]

2-(6-Chloro-1H-indol-3-yl)acetonitrile

J.-F. Li and Y.-H. Luo

Online 17 December 2011


Key indicators

checkCIF/PLATON results

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Alert level C RFACG01_ALERT_3_C The value of the R factor is > 0.10 R factor given 0.110 RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.312 RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.134 PLAT020_ALERT_3_C The value of Rint is greater than 0.12 ......... 0.134 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.979 PLAT082_ALERT_2_C High R1 Value .................................. 0.11 PLAT084_ALERT_2_C High wR2 Value ................................. 0.31 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0066 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 43
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.15 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 N1 -C11 -C12 -C13 -68.00 28.00 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 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level G PUBL013_ALERT_1_G The _publ_section_comment (discussion of study) is missing. This is required for a full paper submission (but is optional for an electronic paper).
0 ALERT level A = Data missing that is essential or data in wrong format 1 ALERT level G = General alerts. Data that may be required is missing

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