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Acta Cryst. (2013). E69, o273-o274
[ doi:10.1107/S160053681300144X ]

(4R*,4aR*,7aS*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylic acid

Y. I. Horak, R. Z. Lytvyn, F. I. Zubkov, E. V. Nikitina, Y. V. Homza, T. Lis, V. Kinzhybalo and M. D. Obushak


Key indicators

checkCIF/PLATON results

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Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.56 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.891 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 36.92 From the CIF: _reflns_number_total 13130 From the CIF: _diffrn_reflns_limit_ max hkl 20. 28. 41. From the CIF: _diffrn_reflns_limit_ min hkl -20. -27. -41. TEST1: Expected hkl limits for theta max Calculated maximum hkl 20. 28. 46. Calculated minimum hkl -20. -28. -46. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.64 mm PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT793_ALERT_4_G The Model has Chirality at C7A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C7B (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C8A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C8B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C9A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C9B (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 846 PLAT952_ALERT_5_G Reported and Calculated Lmax Values Differ by .. 5
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 9 ALERT type 4 Improvement, methodology, query or suggestion 3 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: Horak the synthesis of 5-oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3- f]isoindole-4-carboxylic acid by the reaction of 3-(2-furyl)-2- propenyl(phenyl)amine with maleic anhydride. The development of cycloaddition reaction conditions.
 Lytvyn   spectral investigation, 1? and 13? NMR spectra interpretation. The
 establishment of the reaction stereochemistry.

 Zubkov   development of reduction method and the synthesis of 3-(2-furyl)-2-
 propenyl(phenyl)amine.

 Nikitina   the synthesis of phenyl-(E)-3-(2-furyl)-2-propen-1-imine
 by the reaction of
 3-(2-furyl)-2-propenal with aniline.

 Homza  the synthesis of 3-(2-furyl)-2-propenal.

 Lis - crystallographic investigation.

 Kinzhybalo - crystallographic investigation.

 Obushak   supervisor of the investigation, the search and analysis of literatur
 sources on the topic.
 .


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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