Electrooxidative tricyclic 6–7–6 fused-system domino assembly to allocolchicines by a removable radical strategy
Zhang, Yan; Ma, Chanchan; Cai, Zhenzhi; Struwe, Julia; Chen, Shengjie; Xu, Jinming; Li, Shiyin; Zeng, Wangyu; Ackermann, Lutz; Green Chemistry 24 (2022) 3697–3703; doi:10.1039/D2GC00684G

data_7244844
_publ_section_title
;
 Electrooxidative tricyclic 6--7--6 fused-system domino assembly to
 allocolchicines by a removable radical strategy
;
_journal_issue                   9
_journal_name_full               'Green Chemistry'
_journal_page_first              3697
_journal_page_last               3703
_journal_paper_doi               10.1039/D2GC00684G
_journal_volume                  24
_journal_year                    2022
_chemical_formula_sum            'C24 H17 F3 O3'
_chemical_formula_weight         410.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-11-28 deposited with the CCDC.	2022-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 129.048(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.313(3)
_cell_length_b                   13.516(3)
_cell_length_c                   15.514(3)
_cell_measurement_reflns_used    2164
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.61
_cell_volume                     2005.1(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1305
_diffrn_reflns_av_unetI/netI     0.1002
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15432
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.528
_diffrn_reflns_theta_min         2.264
_exptl_absorpt_coefficient_mu    0.107
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .32
_exptl_crystal_size_min          .29
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4537
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1581
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1107P)^2^+0.7228P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2011
_refine_ls_wR_factor_ref         0.2610
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2315
_reflns_number_total             4537
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2gc00684g2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7244844--7244845.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7244844
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              28899
_shelx_hkl_checksum              61378