A Photoinduced Cobalt-Catalyzed Synthesis of Pyrroles through in Situ-Generated Acylazirines.
Pusch, Stefan; Kowalczyk, Danuta; Opatz, Till; The Journal of organic chemistry 81 (2016) 4170–4178; doi:10.1021/acs.joc.6b00511

data_4031993
_publ_section_title
;
 A Photoinduced Cobalt-Catalyzed Synthesis of Pyrroles through in
 Situ-Generated Acylazirines.
;
_journal_issue                   10
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              4170
_journal_page_last               4178
_journal_paper_doi               10.1021/acs.joc.6b00511
_journal_volume                  81
_journal_year                    2016
_chemical_formula_moiety         'C30 H21 N O2'
_chemical_formula_sum            'C30 H21 N O2'
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_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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_cell_measurement_theta_max      28.20
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_cell_volume                     4418.4(5)
_computing_cell_refinement       'STOE X-AREA'
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_diffrn_detector                 'image plate (34 cm diameter)'
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_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      ' 131 frames, detector distance = 70 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
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_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0615
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_diffrn_reflns_point_group_measured_fraction_full 0.986
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.504
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    0.080
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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^)+(0.0474P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        4418.3(5)
_cod_database_code               4031993
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_shelx_estimated_absorpt_t_max   0.994
_shelx_res_checksum              47871
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