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_7152092
_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            'C7.5 H8.5 O2'
_chemical_formula_weight         130.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.620(5)
_cell_angle_beta                 86.561(5)
_cell_angle_gamma                70.941(5)
_cell_formula_units_Z            2
_cell_length_a                   6.155(5)
_cell_length_b                   9.280(5)
_cell_length_c                   14.021(5)
_cell_measurement_temperature    293(2)
_cell_volume                     746.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.863
_diffrn_measured_fraction_theta_max 0.863
_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  0.1379
_diffrn_reflns_av_sigmaI/netI    0.3394
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6039
_diffrn_reflns_theta_full        29.78
_diffrn_reflns_theta_max         29.78
_diffrn_reflns_theta_min         4.35
_exptl_absorpt_coefficient_mu    0.042
_exptl_crystal_density_diffrn    0.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             139
_refine_diff_density_max         0.262
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3684
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.918
_refine_ls_R_factor_all          0.3505
_refine_ls_R_factor_gt           0.1109
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0721P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.3031
_reflns_number_gt                856
_reflns_number_total             3684
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ob06229h.txt
_cod_data_source_block           va122lastlast
_cod_original_formula_sum        'C7.50 H8.50 O2'
_cod_database_code               7152092