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Acta Cryst. (2005). E61, o2502-o2503  [ doi:10.1107/S1600536805021215 ]

2-[(Dimethylamino)(phenyl)methyl]benzoic acid

Y. L. Dann, A. R. Cowley and H. L. Anderson

Online 13 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.23 Ratio PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C15 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C14
Alert level C REFNR01_ALERT_3_C Ratio of reflections to parameters is < 10 for a centrosymmetric structure sine(theta)/lambda 0.6499 Proportion of unique data used 0.4829 Ratio reflections to parameters 8.4489 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 48 Perc. PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 8.45 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT213_ALERT_2_C Atom C16 has ADP max/min Ratio ............. 3.10 prolat PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.96 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT353_ALERT_3_C Long N-H Bond (0.87A) N1 - H1 ... 1.04 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C7 - C8 ... 1.53 Ang.
0 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL023_ALERT_1_A There is a mismatched ^ on line 432 [1-(deltaF/6*sigmaF)2^]^2^ A~i~ are: 0.491 0.269 0.192 If you require a ^ then it should be escaped with a \, i.e. \^ Otherwise there must be a matching closing ~, e.g. ^12^C
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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