Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.
Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois; Journal of the American Chemical Society 142 (2020) 18541–18553; doi:10.1021/jacs.0c07808

data_4135302
_publ_section_title
;
 Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene
 Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.
;
_journal_issue                   43
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18541
_journal_page_last               18553
_journal_paper_doi               10.1021/jacs.0c07808
_journal_volume                  142
_journal_year                    2020
_chemical_formula_moiety         'C17 H22 O3'
_chemical_formula_sum            'C17 H22 O3'
_chemical_formula_weight         274.34
_chemical_name_systematic
;
 2-spirocyclohexane-3(H)-4(phenylcarboxy)-5(methoxy)-furan
;
_chemical_properties_physical    none
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_cell_measurement_temperature    100(2)
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_diffrn_measurement_method       'CCD \f- and \w-scans'
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_diffrn_radiation_source         '0.2 x 2mm^2^ focus rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'Bruker-Nonius FR591 rotating anode'
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_exptl_absorpt_correction_T_min  0.98109
_exptl_absorpt_correction_type   gaussian
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_description       prism
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'Re-crystallisation from solvent:  diethylether'
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_refine_diff_density_min         -0.206
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0583
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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^)+(0.0402P)^2^+0.3017P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0965
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4315
_reflns_number_total             5619
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja0c07808_si_005.cif
_cod_data_source_block           42b
_cod_depositor_comments
'Adding full bibliography for 4135300--4135305.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4135302
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.974
_shelx_estimated_absorpt_t_max   0.991
_shelx_res_checksum              79574
_shelx_hkl_checksum              91997