Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.
Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining; The Journal of organic chemistry 79 (2014) 10196–; doi:10.1021/jo501861g

data_4030092
_publ_section_title
;
 Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under
 Continuous Flow Conditions.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10196
_journal_paper_doi               10.1021/jo501861g
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C20 H17 F N4'
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_cell_angle_beta                 88.269(10)
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_cell_formula_units_Z            2
_cell_length_a                   6.232(3)
_cell_length_b                   10.854(5)
_cell_length_c                   12.929(8)
_cell_measurement_reflns_used    433
_cell_measurement_temperature    150(2)
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_cell_volume                     795.1(7)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.9963
_exptl_absorpt_correction_T_min  0.9807
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_refine_diff_density_max         1.589
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_refine_ls_R_factor_all          0.2165
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1894P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2726
_refine_ls_wR_factor_ref         0.3539
_reflns_number_gt                1305
_reflns_number_total             3141
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo501861g_si_001.cif
_cod_data_source_block           ab05p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4030092--4030094.cif.
;
_cod_original_cell_volume        795.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4030092