Mechanistic Studies of the Deslongchamps Annulation.
Kreibich, Michael; Petrović, Denis; Brückner, Reinhard; The Journal of organic chemistry 83 (2018) 1116–1133; doi:10.1021/acs.joc.7b02341

data_4033349
_publ_section_title
;
 Mechanistic Studies of the Deslongchamps Annulation.
;
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_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1116
_journal_page_last               1133
_journal_paper_doi               10.1021/acs.joc.7b02341
_journal_volume                  83
_journal_year                    2018
_chemical_formula_moiety         'C20 H26 O7'
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_space_group_name_Hall           'P -2yc'
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_symmetry_space_group_name_Hall  'P -2yc'
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2017-06-20 deposited with the CCDC.
2017-09-21 downloaded from the CCDC.
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.740
_cell_measurement_theta_min      2.189
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_computing_structure_solution    'SHELXS (Sheldrick, 2015)'
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'Bruker SMART APEX II QUAZAR three-circle  diffractometer' 
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_diffrn_measurement_method       \w
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_diffrn_reflns_Laue_measured_fraction_max 0.948
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -18
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'Incoatec I\mS microfocus source with mirror optics'
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; 
 Flack x determined using 2276 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
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_refine_ls_abs_structure_Flack   -0.23(19)
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_refine_ls_R_factor_all          0.0487
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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^)+(0.0711P)^2^+0.0694P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.707
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_cod_depositor_comments
'Adding full bibliography for 4033348--4033350.cif.'
_cod_database_code               4033349
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.975
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_publcif_funding_html
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