Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.
Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang; Journal of the American Chemical Society 136 (2014) 4075–4080; doi:10.1021/ja500878c

data_4121452
_publ_section_title
;
 Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of
 Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged
 Azabicyclo[4.3.1]decadienes.
;
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4075
_journal_page_last               4080
_journal_paper_doi               10.1021/ja500878c
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C17 H17 Cl N2 O3'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_a                   23.505(3)
_cell_length_b                   15.5207(17)
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_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.07
_cell_measurement_theta_min      2.38
_cell_volume                     7631.5(15)
_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      298(2)
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_number            5650
_diffrn_reflns_theta_full        23.56
_diffrn_reflns_theta_max         23.56
_diffrn_reflns_theta_min         1.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.214
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_exptl_absorpt_correction_T_min  0.9748
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2784
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_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.258
_refine_diff_density_min         -0.230
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5650
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_refine_ls_R_factor_all          0.0807
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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^)+(0.1111P)^2^+0.4847P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1793
_reflns_number_gt                3876
_reflns_number_total             5650
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja500878c_si_003.cif
_cod_data_source_block           e:\121223d\work\c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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      Pbcn
_cod_database_code               4121452