Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.
Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide; Chemical communications (Cambridge, England) 56 (2020) 348–351; doi:10.1039/c9cc09062b

data_7125444
_publ_section_title
;
 Splitting and reorientation of \p-conjugation by an unprecedented
 photo-rearrangement reaction.
;
_journal_issue                   3
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              348
_journal_page_last               351
_journal_paper_doi               10.1039/c9cc09062b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C28 H30 O4'
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_audit_update_record
;
2019-09-20 deposited with the CCDC.	2019-11-26 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      123(2)
_diffrn_detector                 'CCD plate'
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_number            36065
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.680
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_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0432
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0491P)^2^+0.9047P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4438
_reflns_number_total             4934
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc09062b2.cif
_cod_data_source_block           Compound_7
_cod_depositor_comments
'Adding full bibliography for 7125441--7125444.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7125444
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.948
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_shelx_res_checksum              59312