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Acta Cryst. (2008). E64, o1603  [ doi:10.1107/S1600536808022496 ]

9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene

E. Gagnon and D. Laliberté

Online 26 July 2008


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Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.86
Author Response: Due to geometrical constraints of the instrument and the use of copper radiation, we obtain consistently a data completeness lower than 100% in dependence of the crystal system and the orientation of the mounted crystal, even with appropriate data collection routines. Typical values for data completeness range from 83-92% for triclinic, 85-97% for monoclinic and 85-98% for all other crystal systems.

Alert level B REFLT03_ALERT_3_B Reflection count < 90% complete (theta max?) From the CIF: _diffrn_reflns_theta_max 68.40 From the CIF: _diffrn_reflns_theta_full 68.40 From the CIF: _reflns_number_total 6210 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 7234 Completeness (_total/calc) 85.84% PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low .... 0.86 PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.57 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.04 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for C45 -- C54 .. 16.31 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C45 -- C55 .. 14.03 su
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.840 0.975 Tmin(prime) and Tmax expected: 0.942 0.975 RR(prime) = 0.891 Please check that your absorption correction is appropriate. PLAT230_ALERT_2_C Hirshfeld Test Diff for C44 -- C54 .. 5.91 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O4 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C42 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C45 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C52 PLAT301_ALERT_3_C Main Residue Disorder ......................... 10.00 Perc. PLAT061_ALERT_4_C Tmax/Tmin Range Test RR' too Large ............. 0.88
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 66
1 ALERT level A = In general: serious problem 6 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 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 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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