Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties
Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao; Chem.Commun. 51 (2015) 14365–; doi:10.1039/C5cc05239D

data_7117778
_publ_section_title
;
 Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones
 with tunable aggregation-induced emission properties
;
_journal_name_full               Chem.Commun.
_journal_page_first              14365
_journal_paper_doi               10.1039/C5cc05239D
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C30 H21 N O'
_chemical_formula_weight         411.48
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-03-20 deposited with the CCDC.
2015-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.1528(2)
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_cell_length_c                   32.522(2)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      68.30
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_cell_volume                     4411.6(3)
_computing_cell_refinement       'CrystalClear-SM Auto 2.0 r4'
_computing_data_collection       'CrystalClear-SM 2.0 r4 (Rigaku, 2009)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn944+ CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0435
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_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            51493
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
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_exptl_absorpt_coefficient_mu    0.578
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_exptl_absorpt_correction_T_min  0.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0563P)^2^+0.5487P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc05239d2.cif
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_cod_database_code               7117778
_shelx_estimated_absorpt_t_min   0.893
_shelx_estimated_absorpt_t_max   0.893
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_shelx_res_checksum              58986