NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.
Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Organic letters 13 (2011) 1068–1071; doi:10.1021/ol103112v

data_1501967
_publ_section_title
;
 NHC-catalyzed/titanium(IV)-mediated highly diastereo- and
 enantioselective dimerization of enals.
;
_journal_issue                   5
_journal_name_full               'Organic letters'
_journal_page_first              1068
_journal_page_last               1071
_journal_paper_doi               10.1021/ol103112v
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C26 H27 N O2'
_chemical_formula_weight         385.49
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
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; 
2010-03-01 # Formatted by publCIF 
;
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_cell_angle_gamma                90.00
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      62.59
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_cell_volume                     1073.35(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_h_max       15
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_number_reflns         10043
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_refine_ls_R_factor_all          0.0602
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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^)+(0.0915P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol103112v_si_002.cif
_cod_data_source_block           n0228_0m
_cod_original_cell_volume        1073.35(9)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1501967