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_1541924
_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            'C25 H24 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
_cell_formula_units_Z            4
_cell_length_a                   10.8495(5)
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_cell_length_c                   19.6318(10)
_cell_measurement_reflns_used    2032
_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.7824
_cell_volume                     2111.60(18)
_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_number            16018
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_T_max  0.9485
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_exptl_crystal_colour            Colorless
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       Lump
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_refine_ls_R_factor_all          0.0989
_refine_ls_R_factor_gt           0.0596
_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^)+(0.0821P)^2^+0.4522P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1760
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2715
_reflns_number_total             4350
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol5b03696_si_002.cif
_cod_data_source_block           mo_150822_0m_a
_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               1541924
_shelxl_version_number           2014/6
_shelx_res_checksum              40277
_shelx_hkl_checksum              39253