(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o614-o615 [ doi:10.1107/S1600536808004674 ]

(3-Aminophenyl)diphenylphosphine oxide-2-propanol (1/1)

H. Mahdavi, J. Amani and J. Attar Gharamaleki

Online 22 February 2008

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R factor = 0.062
wR factor = 0.122
Data-to-parameter ratio = 20.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C2S     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C1S    -   C2S    ...       1.40 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         17      

Alert level G
PLAT793_ALERT_2_G Check the Absolute Configuration of P1'    .....          S      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check