A General Diastereoselective Catalytic Vinylogous Aldol Reaction Among Tetramic Acid-Derived Pyrroles.
David, Jonathan G.; Bai, Wen-Ju; Weaver, Marisa G.; Pettus, Thomas R. R.; Organic letters 16 (2014) 4384–; doi:10.1021/ol501715r

data_1517397
_publ_section_title
;
 A General Diastereoselective Catalytic Vinylogous Aldol Reaction Among
 Tetramic Acid-Derived Pyrroles.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              4384
_journal_paper_doi               10.1021/ol501715r
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C17 H23 N O4'
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_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_gamma                90
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_cell_length_b                   9.9756(6)
_cell_length_c                   11.3012(6)
_cell_measurement_temperature    107(2)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      107(2)
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0382
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_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_max         28.278
_diffrn_reflns_theta_min         1.450
_exptl_absorpt_coefficient_mu    0.091
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_F_000             656
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_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0475P)^2^+0.5829P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2901
_reflns_number_total             3881
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol501715r_si_001.cif
_cod_data_source_block           p01212014
_cod_depositor_comments          'Adding full bibliography for 1517397.cif.'
_cod_database_code               1517397
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.991
_shelxl_version_number           2013-3
_shelx_res_checksum              55281
_shelx_hkl_checksum              26873