Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.
Chang, Meng-Yang; Cheng, Yu-Chieh; Organic letters 18 (2016) 608–611; doi:10.1021/acs.orglett.5b03696

data_1541922
_publ_section_title
;
 Synthesis of Substituted Tetralins and Benzosuberans via
 BF3&#x00B7;OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled
 Cycloaddition of 4-Alkenols with Veratrol.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              608
_journal_page_last               611
_journal_paper_doi               10.1021/acs.orglett.5b03696
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C32 H32 O4 S'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_gamma                90
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_cell_length_a                   12.1307(4)
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_cell_length_c                   20.0330(5)
_cell_measurement_reflns_used    9036
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.3647
_cell_volume                     2589.42(13)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_crystal_colour            Colorless
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0532P)^2^+2.6384P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1140
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4703
_reflns_number_total             5310
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol5b03696_si_001.cif
_cod_data_source_block           mo_150431lt_0m
_cod_depositor_comments
;
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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1541918--1541929.cif.
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_cod_database_code               1541922
_shelxl_version_number           2014/6
_shelx_res_checksum              46714
_shelx_hkl_checksum              67130