Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning; Chemical science 9 (2018) 3844–3855; doi:10.1039/c8sc00560e

data_1549152
_publ_section_title
;
 Stabilising fleeting intermediates of stilbene photocyclization with
 amino-borane functionalisation: the rare isolation of persistent
 dihydrophenanthrenes and their [1,5] H-shift isomers.
;
_journal_issue                   15
_journal_name_full               'Chemical science'
_journal_page_first              3844
_journal_page_last               3855
_journal_paper_doi               10.1039/c8sc00560e
_journal_volume                  9
_journal_year                    2018
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2018-01-14 deposited with the CCDC.
2018-03-27 downloaded from the CCDC.
;
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      230(2)
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_diffrn_measurement_device_type  'CCD area detector'
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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^)+(0.0700P)^2^+0.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1450
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_reflns_number_gt                4083
_reflns_number_total             5664
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8sc00560e2.cif
_cod_data_source_block           sy22
_cod_depositor_comments
;

2019-03-17
Changing absurd Z value and formula.                 miguel

 Adding full bibliography for 1549141--1549152.cif.
;
_cod_original_formula_sum        'C3.18 H3.28 B0.10 N0.10'
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_cod_original_formula_weight     44.04
_cod_database_code               1549152
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_shelx_estimated_absorpt_t_max   0.978
_shelx_res_checksum              57293