Catalytic, enantioselective bifunctional inverse electron demand hetero-Diels-Alder reactions of ketene enolates and o-benzoquinone diimides.
Abraham, Ciby J.; Paull, Daniel H.; Scerba, Michael T.; Grebinski, James W.; Lectka, Thomas; Journal of the American Chemical Society 128 (2006) 13370–13371; doi:10.1021/ja065754d

data_4122127
_publ_section_title
;
 Catalytic, enantioselective bifunctional inverse electron demand
 hetero-Diels-Alder reactions of ketene enolates and o-benzoquinone
 diimides.
;
_journal_issue                   41
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13370
_journal_page_last               13371
_journal_paper_doi               10.1021/ja065754d
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C38 H29 Br N2 O4.5'
_chemical_formula_weight         665.54
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 101.900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_computing_cell_refinement       'Oxford Diffraction CrysAlis RED'
_computing_data_collection       'Oxford Diffraction CrysAlis CCD'
_computing_data_reduction        'Oxford Diffraction CrysAlis RED'
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_computing_structure_solution    'Sheldrick, G.M. (2000). SHELXTL v6.10.'
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_theta_max         27.48
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_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  50
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1368
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.542
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0466P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
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_reflns_number_gt                8782
_reflns_number_total             13936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja065754dsi20060808_123432.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 
;
_cod_original_sg_symbol_H-M      'P2(1)   '
_cod_database_code               4122127
_cod_duplicate_entry 4110978