Highly diastereoselective synthesis of polycyclic amines via redox neutral C–H functionalization
Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.; New J. Chem. 39 (2015) 8397–; doi:10.1039/C5NJ01706H

data_7055059
_publ_section_title
;
 Highly diastereoselective synthesis of polycyclic amines via redox
 neutral C--H functionalization
;
_journal_issue                   11
_journal_name_full               'New J. Chem.'
_journal_page_first              8397
_journal_paper_doi               10.1039/C5NJ01706H
_journal_volume                  39
_journal_year                    2015
_chemical_formula_sum            'C30 H26 Br Cl N2 O3'
_chemical_formula_weight         577.89
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-16 deposited with the CCDC.
2015-08-13 downloaded from the CCDC.
;
_cell_angle_alpha                87.764(2)
_cell_angle_beta                 70.878(2)
_cell_angle_gamma                65.624(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5848(7)
_cell_length_b                   11.0031(8)
_cell_length_c                   14.0353(11)
_cell_measurement_temperature    296(2)
_cell_volume                     1265.88(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14548
_diffrn_reflns_theta_full        64.51
_diffrn_reflns_theta_max         64.51
_diffrn_reflns_theta_min         6.72
_exptl_absorpt_coefficient_mu    3.478
_exptl_absorpt_correction_T_max  0.4768
_exptl_absorpt_correction_T_min  0.4536
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.376
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4174
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.9606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                4104
_reflns_number_total             4174
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj01706h8.cif
_cod_data_source_block           kmh23
_cod_depositor_comments
'Adding full bibliography for 7055058--7055060.cif.'
_cod_original_cell_volume        1265.88(16)
_cod_database_code               7055059