[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3115
[ doi:10.1107/S1600536812042122 ]

(3-Chloropropyl)triphenylphosphonium bromide

C. N. Kavitha, H. S. Yathirajan, A. S. Dayananda, T. Gerber, E. Hosten and R. Betz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for Cl1 -- C3 .. 11.5 su
Author Response: scattering sites assigned correctly, alert is associated with terminal chlorine atom on alkyl chain, no splitting is indicated

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.66
Author Response: no missed twinning or atoms
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          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 CIF .... ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: Kavith, Yathirajan, Dayananda - synthesis, research and project settled around compound; Eric Hosten - mounting and selecting of crystals which was very time-consuming due to quality of sample; Thomas Gerber - initiator of this cooperation and supervisor of Xray facility; Richard Betz - structure solution and refinement as well as write up of this manuscript

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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