Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry.
Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio; Physical chemistry chemical physics : PCCP 26 (2024) 13489–13496; doi:10.1039/d4cp00830h

data_7248421
_publ_section_title
;
 Photolytic splitting of homodimeric quinone-derived oxetanes studied by
 ultrafast transient absorption spectroscopy and quantum chemistry.
;
_journal_issue                   17
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              13489
_journal_page_last               13496
_journal_paper_doi               10.1039/d4cp00830h
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C12 H8 O4'
_chemical_formula_sum            'C12 H8 O4'
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_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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;
2020-09-02 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_cell_measurement_wavelength     0.71073
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_computing_cell_refinement       'APPEX3v2018.7-2 (BRUKER AXS, 2005)'
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_diffrn_reflns_av_unetI/netI     0.0216
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_diffrn_source                   'INCOATEC microfocus sealed tube'
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_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.5
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.16
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_refine_ls_R_factor_all          0.0435
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0428P)^2^+0.8402P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
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_reflns_Friedel_coverage         0
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7248421--7248422.cif.'
_cod_database_code               7248421
_shelx_estimated_absorpt_t_min   0.982
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