Divergent synthesis of alkylphosphonate-containing indanes and indenes <i>via</i> norbornene derivative-controlled palladium-catalyzed three-component systems.
Zheng, Yiyi; Wu, Mingxia; Sun, Shiyue; Zi, You; Sun, Fei; Wu, Xin-Xing; Chemical communications (Cambridge, England) 61 (2025) 13687–13690; doi:10.1039/d5cc03545g

data_7134879
_publ_section_title
;
 Divergent synthesis of alkylphosphonate-containing indanes and indenes
 <i>via</i> norbornene derivative-controlled palladium-catalyzed
 three-component systems.
;
_journal_issue                   72
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13687
_journal_page_last               13690
_journal_paper_doi               10.1039/d5cc03545g
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C26 H33 O4 P'
_chemical_formula_weight         440.49
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-05-17 deposited with the CCDC.	2025-08-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.397(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   9.640(5)
_cell_length_c                   16.117(8)
_cell_measurement_reflns_used    3602
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.712
_cell_measurement_theta_min      2.491
_cell_volume                     2368(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.1101
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
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_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.125
_exptl_absorpt_coefficient_mu    0.145
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_transmission_factor_max   27.712
_exptl_transmission_factor_min   2.491
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_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         4127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.1229
_refine_ls_R_factor_gt           0.0650
_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^)+(0.1500P)^2^+0.3876P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1973
_refine_ls_wR_factor_ref         0.2545
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2746
_reflns_number_total             4127
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc03545g2.cif
_cod_data_source_block           8
_cod_depositor_comments
'Adding full bibliography for 7134879--7134881.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7134879
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              29837
_shelx_hkl_checksum              77973