Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.
Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L; The Journal of organic chemistry 79 (2014) 6419–6423; doi:10.1021/jo500378z

data_4029647
_publ_section_title
;
 Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl
 Fischer Carbene Complexes and Alkynyl Malonates.
;
_journal_issue                   14
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              6419
_journal_page_last               6423
_journal_paper_doi               10.1021/jo500378z
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C17 H19 Br O5'
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_cell_volume                     3308.37(15)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SIR-2004 (Altomare, 2004)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker CCD Smart 6000'
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_diffrn_radiation_source         'Incoatec I\muS microsource'
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_exptl_absorpt_coefficient_mu    3.593
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_exptl_absorpt_correction_T_min  0.5652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_R_factor_all          0.0480
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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
'calc w=1/[\s^2^(Fo^2^)+(0.0762P)^2^+2.5364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1360
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_reflns_number_gt                5746
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            jo500378z_si_003.cif
_cod_data_source_block           5d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4029647--4029649.cif.
;
_cod_original_sg_symbol_H-M      'P 2(1)/c'
_cod_database_code               4029647