Intramolecular Cyclization Manifolds of 4-Alkylpyridines Bearing Ambiphilic Side Chains: Construction of Spirodihydropyridines or Benzylic Cyclization via Anhydrobase Intermediates
Sharavathi G. Parameswarappa; F. Christopher Pigge; Journal of Organic Chemistry 77 (2012) 8038–8048; doi:10.1021/jo301247c

data_4027517
_publ_section_title
;
 Intramolecular Cyclization Manifolds of 4-Alkylpyridines Bearing
 Ambiphilic Side Chains: Construction of Spirodihydropyridines or Benzylic
 Cyclization via Anhydrobase Intermediates
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8038
_journal_page_last               8048
_journal_paper_doi               10.1021/jo301247c
_journal_volume                  77
_journal_year                    2012
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 93.780(5)
_cell_angle_gamma                93.453(5)
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_cell_length_a                   7.3151(8)
_cell_length_b                   7.7610(9)
_cell_length_c                   11.2261(12)
_cell_measurement_temperature    200(2)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
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_exptl_absorpt_correction_T_max  0.9948
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_refine_ls_extinction_coef       0.27(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.391
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2163
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_refine_ls_restrained_S_all      1.391
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_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'
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           fcp116
_cod_original_cell_volume        594.35(11)
_cod_database_code               4027517