Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.
Nguyen, Thanh Binh; Retailleau, Pascal; The Journal of organic chemistry 84 (2019) 5907–5912; doi:10.1021/acs.joc.9b00408

data_4034365
_publ_section_title
;
 Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of
 Phenylacetonitriles.
;
_journal_issue                   9
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5907
_journal_page_last               5912
_journal_paper_doi               10.1021/acs.joc.9b00408
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C33 H35 N3'
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_diffrn_ambient_temperature      293(2)
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_diffrn_radiation_monochromator  'Rigaku MaxFlux double bounce mirror '
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_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_theta_max         25.347
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43c (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0907
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0790P)^2^+5.6355P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             5136
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        5624.0(8)
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_cod_database_code               4034365
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