DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives
Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski; Journal of Organic Chemistry 77 (2012) 8206–8219; doi:10.1021/jo301573e

data_4027525
_publ_section_title
;
 DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed
 Transetherification of Its 3,21-Dialkoxy Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8206
_journal_page_last               8219
_journal_paper_doi               10.1021/jo301573e
_journal_volume                  77
_journal_year                    2012
_chemical_formula_moiety         'C54 H51 N4 O3, 0.23(C N), 0.77(C N)'
_chemical_formula_sum            'C55 H51 N5 O3'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                113.944(5)
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_cell_length_a                   14.1239(7)
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_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_measured_fraction_theta_max 0.978
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_diffrn_reflns_limit_l_min       -19
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.781
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_refine_ls_R_factor_all          0.1041
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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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_database_code               4027525