Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.
Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang; The Journal of organic chemistry 82 (2017) 7077–7084; doi:10.1021/acs.joc.7b01278

data_4032588
_publ_section_title
;
 Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of
 Substituted Aryl-Dihydronaphthalenes and Indenes.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7077
_journal_page_last               7084
_journal_paper_doi               10.1021/acs.joc.7b01278
_journal_volume                  82
_journal_year                    2017
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_a                   11.399(2)
_cell_length_b                   11.510(2)
_cell_length_c                   19.440(4)
_cell_measurement_reflns_used    5567
_cell_measurement_temperature    99(2)
_cell_measurement_theta_max      27.8439
_cell_measurement_theta_min      2.2773
_cell_volume                     2240.4(7)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_crystal_colour            colorless
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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^)+(0.0430P)^2^+0.5161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1123
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7661
_reflns_number_total             11027
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo7b01278_si_002.cif
_cod_data_source_block           mo_170433LT_0m_compound_4t
_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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4032587--4032592.cif.

2020-08-05
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        2240.2(8)
_cod_original_formula_sum        'C60 H50 F2 O4'
_cod_original_formula_units_Z    2
_cod_original_formula_weight     873.00
_cod_database_code               4032588
_shelxl_version_number           2014/6
_shelx_res_checksum              32923
_shelx_hkl_checksum              30222