Calcium-catalyzed regioselective dehydrative cross-coupling of propargylic alcohols with 1,3-dicarbonyl compounds
Xie, Peizhong; Wo, Xiangyang; Yang, Xiaobo; Cai, Xinying; Li, Shuangshuang; Gao, Cuiqing; Fu, Weishan; Sun, Zuolian; Loh, Teck-Peng; Green Chemistry 21 (2019) 5207–; doi:10.1039/C9GC02635E

data_7233620
_publ_section_title
;
 Calcium-catalyzed regioselective dehydrative cross-coupling of
 propargylic alcohols with 1,3-dicarbonyl compounds
;
_journal_issue                   19
_journal_name_full               'Green Chemistry'
_journal_page_first              5207
_journal_paper_doi               10.1039/C9GC02635E
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C23 H22 O3'
_chemical_formula_weight         346.40
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_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2019-07-05 deposited with the CCDC.    2019-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   11.9398(5)
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_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.52
_cell_volume                     1925.19(15)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         2.082
_exptl_absorpt_coefficient_mu    0.078
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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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^)+2.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1218
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2687
_reflns_number_total             3364
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9gc02635e2.cif
_cod_data_source_block           20190701ZH_NGD_XPZ_0m_a
_cod_depositor_comments
'Adding full bibliography for 7233620--7233621.cif.'
_cod_database_code               7233620
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              39535