Nickel-catalyzed ring-opening alkylative coupling of enone with methylenecyclopropane in the presence of triethylborane.
Ogata, Kenichi; Shimada, Daisuke; Furuya, Shouichi; Fukuzawa, Shin-ichi; Organic letters 15 (2013) 1182–1185; doi:10.1021/ol303548x

data_1511848
_publ_section_title
;
 Nickel-catalyzed ring-opening alkylative coupling of enone with
 methylenecyclopropane in the presence of triethylborane.
;
_journal_issue                   6
_journal_name_full               'Organic letters'
_journal_page_first              1182
_journal_page_last               1185
_journal_paper_doi               10.1021/ol303548x
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C21 H30 O2'
_chemical_formula_weight         314.45
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                105.723(9)
_cell_angle_beta                 95.4081(10)
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_cell_length_b                   16.031(9)
_cell_length_c                   16.085(9)
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_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      31.3
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_cell_volume                     1863.5(18)
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_computing_data_collection       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_molecular_graphics    ORTEP-III
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      93(2)
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_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'RIGAKU/MSCIO Saturn CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  0.9979
_exptl_absorpt_correction_T_min  0.9828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.121
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
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_refine_ls_R_factor_all          0.1230
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0645P)^2^+1.3337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1750
_refine_ls_wR_factor_ref         0.1981
_reflns_number_gt                4423
_reflns_number_total             6445
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol303548x_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1511848