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Acta Cryst. (2013). E69, o1194-o1195  [ doi:10.1107/S160053681301773X ]

1'-(1,3-Diphenyl-1H-pyrazol-4-yl)-1''-(prop-2-en-1-yl)-2',3',5',6',7',7a'-hexahydro-1'H-dispiro[1-benzopyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione 0.75-hydrate

G. Jagadeesan, D. Kathirvelan, J. Haribabu, B. S. R. Reddy and K. Sethusankar

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C30 -- C31 .. 13.5 su
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.10 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.7 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C29 -- C30 .. 6.7 su PLAT245_ALERT_2_C U(iso) H1W Smaller than U(eq) O4W by ... 0.018 AngSq PLAT245_ALERT_2_C U(iso) H2W Smaller than U(eq) O4W by ... 0.018 AngSq PLAT368_ALERT_2_C Short C(sp2)-C(sp2) Bond C30 - C31 ... 1.21 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.030 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.25 Ratio PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 % PLAT793_ALERT_4_G The Model has Chirality at C16 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C17 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C21 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C32 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 26
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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