Facile Buchwald-Hartwig coupling of sterically encumbered substrates effected by PNP ligands.
Kathewad, Neha; M C, Anagha; Parvin, Nasrina; Parambath, Sneha; Parameswaran, Pattiyil; Khan, Shabana; Dalton transactions (Cambridge, England : 2003) 48 (2019) 2730–2734; doi:10.1039/c9dt00159j

data_7048750
_publ_section_title
;
 Facile Buchwald-Hartwig coupling of sterically encumbered substrates
 effected by PNP ligands.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2730
_journal_page_last               2734
_journal_paper_doi               10.1039/c9dt00159j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C21 H25 N'
_chemical_formula_weight         291.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-10-09 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.99(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.944(14)
_cell_length_b                   12.969(19)
_cell_length_c                   14.91(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1920(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.822
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.3288
_diffrn_reflns_av_unetI/netI     0.1959
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.822
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            76735
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.822
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.370
_diffrn_reflns_theta_min         2.082
_exptl_absorpt_coefficient_mu    0.058
_exptl_crystal_density_diffrn    1.008
_exptl_crystal_F_000             632
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     210
_refine_ls_number_reflns         4764
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.2388
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1965
_refine_ls_wR_factor_ref         0.2873
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1699
_reflns_number_total             4764
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00159j2.cif
_cod_data_source_block           TR1_a
_cod_depositor_comments
'Adding full bibliography for 7048750--7048752.cif.'
_cod_database_code               7048750
_shelxl_version_number           2013-4
_shelx_res_checksum              48102