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[Contents scheme]

Acta Cryst. (2013). E69, o406-o407
[ doi:10.1107/S1600536813003978 ]

2,2'-[(1S,2S)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate

J. Chin, D. Koh and A. J. Lough


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT355_ALERT_3_C Long O-H Bond (0.82A) O1S - H1SO ... 1.07 Ang.
Author Response: These H atom positions were refined and are involved in intermolecular hydrogen bonds.
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O1W    -   H1W    ...       1.05 Ang. 
Author Response: These H atom positions were refined and are involved in intermolecular hydrogen bonds.
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O1W    -   H1W_a  ...       1.05 Ang. 
Author Response: These H atom positions were refined and are involved in intermolecular hydrogen bonds.
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         25      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C2 H6 O PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 98 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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