Examination of Pyridazine as a Possible Scaffold for Nucleophilic Catalysis.
Tamaki, Airi; Kojima, Satoshi; Yamamoto, Yohsuke; The Journal of organic chemistry 81 (2016) 8710–8721; doi:10.1021/acs.joc.6b00630

data_4036819
_publ_section_title
;
 Examination of Pyridazine as a Possible Scaffold for Nucleophilic
 Catalysis.
;
_journal_issue                   19
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              8710
_journal_page_last               8721
_journal_paper_doi               10.1021/acs.joc.6b00630
_journal_volume                  81
_journal_year                    2016
_chemical_formula_sum            'C18 H23 Br N4 O'
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_diffrn_radiation_monochromator  'Bruker Helios multilayered confocal mirror'
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_diffrn_reflns_theta_min         1.447
_exptl_absorpt_coefficient_mu    2.108
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_exptl_absorpt_correction_T_min  0.863
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_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 2014)
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.100
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_exptl_crystal_size_min          0.010
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_refine_ls_number_reflns         10554
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_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0709
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0860P)^2^+8.4728P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        2940.2(11)
_cod_database_code               4036819
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_shelx_estimated_absorpt_t_min   0.817
_shelx_estimated_absorpt_t_max   0.979
_shelx_res_checksum              21386
_shelx_hkl_checksum              88299