Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.
Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew; Organic & biomolecular chemistry 2 (2004) 2451–2460; doi:10.1039/b407293f

data_7151621
_publ_section_title
;
 Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl
 imines: evidence for the non-concertedness under Lewis-acid catalysed
 conditions.
;
_journal_issue                   17
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2451
_journal_page_last               2460
_journal_paper_doi               10.1039/b407293f
_journal_volume                  2
_journal_year                    2004
_chemical_formula_moiety         'C18 H21 N O4'
_chemical_formula_sum            'C18 H21 N O4'
_chemical_formula_weight         315.36
_chemical_name_common
;
Ethyl-5-acetyl-8-methoxy-3a,4,5,9b-tetrahydro-3H-
cyclopenta(c)quinoline -4-carboxylate
;
_chemical_name_systematic
;
?
;
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_a                   9.2885(4)
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_cell_length_c                   10.1841(5)
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_cell_measurement_temperature    120(2)
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_computing_cell_refinement       'SMART-NT V5.0 (Bruker, 1998)'
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_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8
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_diffrn_measurement_device_type  'Bruker SMART CCD 6K area detector'
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_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
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_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7014
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_type   none
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_exptl_crystal_colour            'pale orange'
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
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_refine_ls_R_factor_all          0.0735
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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^)+(0.0811P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1329
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_reflns_number_gt                3097
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b407293f.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7151621