Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones
Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin; Journal of Organic Chemistry 77 (2012) 6007–6013; doi:10.1021/jo300697v

data_4027296
_publ_contact_author_address
;620002, Russian Federation, Ekaterinburg, Mira St. 19
Ural Federal University, Dept. of Organic Chemistry
;
_publ_contact_author_email       i.n.egorov@gmail.com
_publ_contact_author_fax         +7(343)3740458
_publ_contact_author_name        'Ilya N. Egorov'
_publ_contact_author_phone       +7(343)3754501
_publ_section_title
;
 Chichibabin-Type Condensation of Cyclic Ketones with
 3-R-1,2,4-triazin-5(4H)-ones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6007
_journal_page_last               6013
_journal_paper_doi               10.1021/jo300697v
_journal_volume                  77
_journal_year                    2012
_chemical_formula_moiety         'C21 H22 N3 O, C F3 O3 S'
_chemical_formula_sum            'C22 H22 F3 N3 O4 S'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_alpha                82.257(14)
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_cell_length_a                   9.3264(15)
_cell_length_b                   10.1503(19)
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_cell_measurement_reflns_used    2552
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      3051
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_cell_volume                     1068.9(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
;
_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.983
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_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.51
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6347
_refine_ls_number_restraints     24
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_refine_ls_R_factor_all          0.1190
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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