A catalyst-free bis(triflyl)ethylation/benzannulation reaction: rapid access to carbazole-based superacidic carbon acids from alkynols.
Martín-Mejías, Irene; Aragoncillo, Cristina; Yanai, Hikaru; Hoshikawa, Shoki; Fujimoto, Yuuki; Matsumoto, Takashi; Almendros, Pedro; Chemical communications (Cambridge, England) 56 (2020) 1795–1798; doi:10.1039/c9cc08930f

data_7125732
_publ_section_title
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 A catalyst-free bis(triflyl)ethylation/benzannulation reaction: rapid
 access to carbazole-based superacidic carbon acids from alkynols.
;
_journal_issue                   12
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1795
_journal_page_last               1798
_journal_paper_doi               10.1039/c9cc08930f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C22 H17 F12 N O8 S4'
_chemical_formula_sum            'C22 H17 F12 N O8 S4'
_chemical_formula_weight         779.60
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_chemical_name_systematic
3,6-Bis(2,2-bis((trifluoromethyl)sulfonyl)ethyl)-9-ethyl-9H-carbazole
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2019-04-22 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
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pubCIF (Westrip, 2010) and enCIFer (Allen et al. 2004)
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'SHELXTL XT Intrinsic Phasing (Sheldrick, 2013)'
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_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayered confocal mirror'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_source                   'rotating-anode X-ray tube'
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;
Crystal Faces plugin in Bruker APEX2 software
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_exptl_crystal_colour            colourelss
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_description       block
_exptl_crystal_F_000             784
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'Re-crystallisation from solvent: CHCl3/hexane'
_exptl_crystal_size_max          0.284
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_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0577
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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^)+(0.0654P)^2^+3.6706P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1320
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4412
_reflns_number_total             5179
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc08930f2.cif
_cod_data_source_block           SH-180
_cod_depositor_comments          'Adding full bibliography for 7125732.cif.'
_cod_database_code               7125732
_publcif_datablock.id            {3b235b2a-10cd-45d8-a439-38372d4969c9}
_shelx_estimated_absorpt_t_min   0.883
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_shelx_res_checksum              42409
_publcif_funding_html
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