Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.
Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki; Chemical science 15 (2024) 15599–15609; doi:10.1039/d4sc02597k

data_1572692
_publ_section_title
;
 Direct photochemical intramolecular [4 + 2] cycloadditions of
 dehydrosecodine-type substrates for the synthesis of the
 <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing
 micro-flow system.
;
_journal_issue                   38
_journal_name_full               'Chemical science'
_journal_page_first              15599
_journal_page_last               15609
_journal_paper_doi               10.1039/d4sc02597k
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C19 H30 Cl2 Fe N7 P3'
_chemical_formula_sum            'C19 H30 Cl2 Fe N7 P3'
_chemical_formula_weight         576.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2024-05-22 deposited with the CCDC.	2024-08-16 downloaded from the CCDC.
;
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.22
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'WinGX publication routines (Farrugia, 2012) and PLATON (Spek, 2009)'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_full 1.000
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'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0401
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_diffrn_reflns_limit_h_min       -14
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_refine_ls_R_factor_all          0.0385
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+1.4748P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0790
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_reflns_number_total             5672
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1572691--1572693.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1572692
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