Borane-catalyzed indole synthesis through intramolecular hydroamination.
Tussing, Sebastian; Ohland, Miriam; Wicker, Garrit; Flörke, Ulrich; Paradies, Jan; Dalton transactions (Cambridge, England : 2003) 46 (2017) 1539–1545; doi:10.1039/c6dt04725d

data_7041610
_publ_section_title
;
 Borane-catalyzed indole synthesis through intramolecular hydroamination.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1539
_journal_page_last               1545
_journal_paper_doi               10.1039/c6dt04725d
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C39 H16 B F15 N, C9 H20 N, C H2 Cl2'
_chemical_formula_sum            'C49 H38 B Cl2 F15 N2'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-11-22 deposited with the CCDC.
2017-01-04 downloaded from the CCDC.
;
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_computing_cell_refinement       'SAINT (Bruker, 2002)'
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_diffrn_measurement_device_type  'Bruker AXS SMART APEX'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
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_refine_ls_number_reflns         21705
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0292P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                9730
_reflns_number_total             21705
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           o2745
_cod_depositor_comments
'Adding full bibliography for 7041608--7041611.cif.'
_cod_original_cell_volume        4574.4(9)
_cod_database_code               7041610
_shelx_estimated_absorpt_t_min   0.893
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_shelx_res_checksum              87178