Iodine-Catalyzed Nazarov Cyclizations.
Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin; The Journal of organic chemistry 84 (2019) 7587–7605; doi:10.1021/acs.joc.9b01083

data_4037580
_publ_section_title
;
 Iodine-Catalyzed Nazarov Cyclizations.
;
_journal_issue                   12
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7587
_journal_page_last               7605
_journal_paper_doi               10.1021/acs.joc.9b01083
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C20 H24 O7'
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_atom_sites_solution_hydrogens   mixed
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_cell_length_c                   10.8238(5)
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_computing_cell_refinement       'Bruker APEX 3'
_computing_data_collection       'Bruker APEX 3'
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;
SHELXL-2014/7 (Sheldrick, 2014)
SHELXLE (C. B. Huebschle 2016)'
;
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi / omega scans'
_diffrn_radiation_type           CuK\a
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_diffrn_source                   'micro focus'
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_exptl_absorpt_correction_T_max  0.7535
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADBS'
_exptl_crystal_colour            colourless
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_refine_ls_number_reflns         3779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0510
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+1.1646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              60152
_shelx_hkl_checksum              80494