Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan; Nature Communications 8 (2017) 361–; doi:10.1038/s41467-017-00416-8

data_1547719
_publ_section_title
;
 Modifying electron transfer between photoredox and organocatalytic units
 via framework interpenetration for beta-carbonyl functionalization
;
_journal_name_full               'Nature Communications'
_journal_page_first              361
_journal_paper_doi               10.1038/s41467-017-00416-8
_journal_volume                  8
_journal_year                    2017
_chemical_formula_sum            'C120 H125 N17 O31 Zn4'
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_cell_angle_beta                 116.2505(11)
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_cell_length_c                   27.3884(18)
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_cell_measurement_temperature    200(2)
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_cell_volume                     5955.9(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_theta_min         2.29
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_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2664
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_exptl_crystal_size_mid          0.27
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0551
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_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1400P)^2^+0.2098P] where P=(Fo^2^+2Fc^2^)/3'
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