Borane catalysed cyclopropenation of arylacetylenes.
Stefkova, Katarina; Heard, Matthew J.; Dasgupta, Ayan; Melen, Rebecca L.; Chemical communications (Cambridge, England) 57 (2021) 6736–6739; doi:10.1039/d1cc01856f

data_7128465
_publ_section_title
;
 Borane catalysed cyclopropenation of arylacetylenes.
;
_journal_issue                   55
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6736
_journal_page_last               6739
_journal_paper_doi               10.1039/d1cc01856f
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C25 H18 O2'
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_audit_update_record
;
2021-03-24 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
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_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
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_diffrn_reflns_point_group_measured_fraction_full 0.962
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;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.199
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_refine_diff_density_min         -0.211
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_refine_ls_abs_structure_details
;
 Flack x determined using 1819 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.2(2)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0804
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0512P)^2^+0.7851P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1409
_reflns_Friedel_coverage         0.778
_reflns_Friedel_fraction_full    0.919
_reflns_Friedel_fraction_max     0.899
_reflns_number_gt                5412
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc01856f2.cif
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_cod_depositor_comments
'Adding full bibliography for 7128464--7128465.cif.'
_cod_database_code               7128465
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.884
_shelx_estimated_absorpt_t_max   0.975
_shelx_res_checksum              30838
_shelx_hkl_checksum              42341