A Stereoselective Michael-Mannich Annelation Strategy for the Construction of Novel Tetrahydrocarbazoles.
Williams, David R.; Bawel, Seth A.; Schaugaard, Richard N.; Organic letters 19 (2017) 5098–5101; doi:10.1021/acs.orglett.7b02323

data_1547265
_publ_section_title
;
 A Stereoselective Michael-Mannich Annelation Strategy for the
 Construction of Novel Tetrahydrocarbazoles.
;
_journal_issue                   19
_journal_name_full               'Organic letters'
_journal_page_first              5098
_journal_page_last               5101
_journal_paper_doi               10.1021/acs.orglett.7b02323
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C41 H42 N2 O2 Si1'
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_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
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_diffrn_radiation_monochromator  graphite
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_refine_ls_extinction_method     None
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         7803
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_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.07P)^2^ + 2.69P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7830
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_r_factor_ref   0.0825
_oxford_refine_ls_scale          0.12511(6)
_oxford_reflns_number_all        7803
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 'mo_16002_0m in P2(1)/n'
_cod_data_source_file            ol7b02323_si_002.cif
_cod_data_source_block           16002
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Other' changed to 'other'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1547265.cif.
;
_cod_original_cell_volume        3386.7(2)
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        'C41 H42 N2 O2 Si1'
_cod_database_code               1547265