Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.
More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio; Organic & biomolecular chemistry 9 (2011) 8483–8488; doi:10.1039/c1ob06229h

data_7152091
_publ_section_title
;
 Multi-component, regio-selective aldol addition of \b-ketoesters to
 aldehydes: scope and applications.
;
_journal_issue                   24
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8483
_journal_page_last               8488
_journal_paper_doi               10.1039/c1ob06229h
_journal_volume                  9
_journal_year                    2011
_chemical_formula_sum            'C19 H27 N O4 Si'
_chemical_formula_weight         361.51
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.289(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8157(4)
_cell_length_b                   15.5367(5)
_cell_length_c                   14.1068(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2128.86(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.859
_diffrn_measured_fraction_theta_max 0.859
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29674
_diffrn_reflns_theta_full        30.38
_diffrn_reflns_theta_max         30.38
_diffrn_reflns_theta_min         4.20
_exptl_absorpt_coefficient_mu    0.191
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             848
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         5512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1271
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.100
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1080P)^2^+0.5919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1751
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                2820
_reflns_number_total             5512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ob06229h.txt
_cod_data_source_block           dcm_long
_cod_database_code               7152091