Catalytic insertion of aldehydes into dihalonitroacetophenones via sequential bond scission-aldol reaction-acyl transfer.
Ding, Ransheng; Wolf, Christian; Chemical communications (Cambridge, England) 52 (2016) 3576–3579; doi:10.1039/c5cc09753c

data_7118680
_publ_section_title
;
 Catalytic insertion of aldehydes into dihalonitroacetophenones via
 sequential bond scission-aldol reaction-acyl transfer.
;
_journal_issue                   17
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3576
_journal_page_last               3579
_journal_paper_doi               10.1039/c5cc09753c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C15 H10 Cl2 N2 O6'
_chemical_formula_sum            'C15 H10 Cl2 N2 O6'
_chemical_formula_weight         385.15
_chemical_name_systematic
'2,2-dichloro-2-nitro-1-(4-nitrophenyl)ethyl benzoate'
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
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_atom_sites_solution_hydrogens   geom
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;
2015-09-15 deposited with the CCDC.
2016-02-01 downloaded from the CCDC.
;
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         2.178
_exptl_absorpt_coefficient_mu    0.447
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'Re-crystallisation from solvent: Chloroform, Hexanes'
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;
 Flack x determined using 1941 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.022(13)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0278
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0399P)^2^+0.3519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.942
_reflns_number_gt                4512
_reflns_number_total             4658
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc09753c2.cif
_cod_data_source_block           B15242_2
_cod_depositor_comments
'Adding full bibliography for 7118679--7118680.cif.'
_cod_original_cell_volume        1582.86(19)
_cod_database_code               7118680
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