An Aza-Diels-Alder Approach to Crowded Benzoquinolines.
Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A.; Organic letters 18 (2016) 156–159; doi:10.1021/acs.orglett.5b02939

data_1540738
_publ_section_title
;
 An Aza-Diels-Alder Approach to Crowded Benzoquinolines.
;
_journal_issue                   2
_journal_name_full               'Organic letters'
_journal_page_first              156
_journal_page_last               159
_journal_paper_doi               10.1021/acs.orglett.5b02939
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C33 H24 Br N3 O'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+1.2529P] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
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_reflns_number_gt                4880
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           aag4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1540738--1540739.cif.
;
_cod_database_code               1540738
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_shelx_res_checksum              55978
_shelx_hkl_checksum              8167