Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.
Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.; Journal of the American Chemical Society 136 (2014) 14951–14958; doi:10.1021/ja5076426

data_4122803
_publ_section_title
;
 Stereospecific cross-coupling reactions of aryl-substituted
 tetrahydrofurans, tetrahydropyrans, and lactones.
;
_journal_issue                   42
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14951
_journal_page_last               14958
_journal_paper_doi               10.1021/ja5076426
_journal_volume                  136
_journal_year                    2014
_chemical_absolute_configuration unk
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_symmetry_space_group_name_H-M   'P 1 21 1'
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_cell_length_c                   11.5356(6)
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_cell_measurement_temperature    88(2)
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_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
_computing_data_collection       'Bruker APEX2 2014.1-1, 2014'
_computing_data_reduction        'Bruker SAINT 8.34a, 2013'
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_diffrn_reflns_theta_full        25.242
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_refine_ls_abs_structure_details
; 
No quotients, so Flack parameter determined by classical intensity fit 
;
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+0.2504P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0939
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    0.000
_reflns_Friedel_fraction_max     0.000
_reflns_number_gt                2597
_reflns_number_total             2716
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5076426_si_002.cif
_cod_data_source_block           erj20
_cod_depositor_comments
;Adding full bibliography for 4122803--4122806.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4122803
_shelx_estimated_absorpt_t_min   0.976
_shelx_estimated_absorpt_t_max   0.985
_shelxl_version_number           2014-2
_shelx_res_checksum              46093
_shelx_hkl_checksum              26217