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[Contents scheme]

Acta Cryst. (2013). E69, o1621
[ doi:10.1107/S160053681302624X ]

tert-Butyl 2-(6-{2-[2-(4-fluoro­phen­yl)-5-isopropyl-3-phenyl-4-(phenyl­carbamo­yl)pyrrol-1-yl]eth­yl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Y.-M. Wu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C26 -- C27 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C42 -- C44 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C43 -- C44 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C50 -- C52 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C76 -- C77 .. 0.19 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C26 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C39 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C53 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C77 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C44 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C59 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C76 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0096 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 8.982 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.579
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT111_ALERT_2_G ADDSYM Detects (Pseudo) Centre of Symmetry ..... 89 %Fit PLAT113_ALERT_2_G ADDSYM Suggests Possible Pseudo/New Space-group. P21/c PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C47 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C49 (Verify) S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 29 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 19 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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