Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.
Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko; Journal of the American Chemical Society 138 (2016) 3635–3638; doi:10.1021/jacs.6b00082

data_4130090
_publ_section_title
;
 Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal
 Fused Oligosiloles.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3635
_journal_page_last               3638
_journal_paper_doi               10.1021/jacs.6b00082
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C42 H56 Si3'
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_cell_length_b                   10.913(3)
_cell_length_c                   17.757(5)
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_cell_measurement_temperature    173(2)
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_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_collection       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto, et al.)'
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_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_coefficient_mu    0.152
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Orange
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_exptl_crystal_description       Block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0396P)^2^+4.8438P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1283
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5498
_reflns_number_total             6103
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b00082_si_003.cif
_cod_data_source_block           3si
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4130090
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              12263
_shelx_hkl_checksum              8555