Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.
Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo; The Journal of organic chemistry 80 (2015) 7604–7612; doi:10.1021/acs.joc.5b01182

data_4031283
_publ_section_title
;
 Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed
 Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of
 Homoallenyl Amides.
;
_journal_issue                   15
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7604
_journal_page_last               7612
_journal_paper_doi               10.1021/acs.joc.5b01182
_journal_volume                  80
_journal_year                    2015
_chemical_formula_sum            'C21 H21 N O5 S'
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_cell_length_c                   16.6329(9)
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_cell_measurement_theta_min      2.503
_cell_volume                     1990.33(19)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_max         27.72
_diffrn_reflns_theta_min         1.29
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.195
_exptl_absorpt_correction_T_max  .0000
_exptl_absorpt_correction_T_min  .0000
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .36
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9278
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_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_gt           0.0811
_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^)+(0.0605P)^2^+1.0488P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1735
_reflns_number_gt                5635
_reflns_number_total             9278
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo5b01182_si_002.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4031283--4031284.cif.
;
_cod_original_cell_volume        1990.33(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4031283
_refine_ls_r_factor_ref          0.1413