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Acta Cryst. (2006). E62, o532-o533  [ doi:10.1107/S1600536805042881 ]

3-Isopropyl-2-phenoxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one

X.-H. Zeng, M.-W. Ding and H.-W. He

Online 11 January 2006


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Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C14 PLAT331_ALERT_2_B Small Average Phenyl C-C Dist. C14 -C19 1.35 Ang.
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H10 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17 PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.99 From the CIF: _reflns_number_total 3473 Count of symmetry unique reflns 2110 Completeness (_total/calc) 164.60% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1363 Fraction of Friedel pairs measured 0.646 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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

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