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1135485027 ÁìÈ¡Êý¾Ý Bond precision: C-C = 0.0020 A Wavelength=0.71073 Cell: a=14.694(2) b=5.7705(9) c=9.4383(16) alpha=90 beta=100.769(3) gamma=90 Temperature: 296 K Calculated Reported Volume 786.2(2) 786.2(2) Space group P 21/c P21/c Hall group -P 2ybc ? Moiety formula C7 H9 B O3 ? Sum formula C7 H9 B O3 C7 H9 B O3 Mr 151.95 151.95 Dx,g cm-3 1.284 1.284 Z 4 4 Mu (mm-1) 0.097 0.097 F000 320.0 320.0 F000' 320.19 h,k,lmax 17,6,11 17,6,11 Nref 1386 1384 Tmin,Tmax 0.980,0.982 0.980,0.982 Tmin' 0.980 Correction method= # Reported T Limits: Tmin=0.980 Tmax=0.982 AbsCorr = MULTI-SCAN Data completeness= 0.999 Theta(max)= 25.000 R(reflections)= 0.0340( 1198) wR2(reflections)= 0.0766( 1384) S = 1.035 Npar= 103 -------------------------------------------------------------------------------- The following ALERTS were generated. Each ALERT has the format test-name_ALERT_alert-type_alert-level. Click on the hyperlinks for more details of the test. --------------------------------------------------------------------------------Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Report |
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