Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.
Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.; The Journal of organic chemistry 79 (2014) 9451–9454; doi:10.1021/jo501531a

data_4029977
_publ_section_title
;
 Preparation, structural characterization, and thermochemistry of an
 isolable 4-arylphenoxyl radical.
;
_journal_issue                   20
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              9451
_journal_page_last               9454
_journal_paper_doi               10.1021/jo501531a
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C20 H24 N O3'
_chemical_formula_sum            'C20 H24 N O3'
_chemical_formula_weight         326.4
_chemical_name_common            trp030514
_chemical_name_systematic
;
 trp030514
;
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_cell_length_b                   13.1671(8)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
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_computing_cell_refinement       'SAINT (Bruker, 2007)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.996
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_exptl_crystal_colour            black
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+1.3241P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block           trp030514_0m
_cod_depositor_comments
'Adding full bibliography for 4029976--4029977.cif.'
_cod_database_code               4029977