Organocatalytic one-pot 1,4-/1,6-/1,2-addition sequence for the stereocontrolled formation of six consecutive stereocenters
Pankaj Chauhan; Suruchi Mahajan; Gerhard Raabe; Dieter Enders; Chem.Commun. 51 (2015) 2270–; doi:10.1039/C4cc09730K

data_7116456
_publ_section_title
;
 Organocatalytic one-pot 1,4-/1,6-/1,2-addition sequence for the
 stereocontrolled formation of six consecutive stereocenters
;
_journal_name_full               Chem.Commun.
_journal_page_first              2270
_journal_paper_doi               10.1039/C4cc09730K
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C26 H27 N3 O8'
_chemical_formula_sum            'C26 H27 N3 O8'
_chemical_formula_weight         509.56
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_update_record
;
2014-12-04 deposited with the CCDC.
2014-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   10.6406(4)
_cell_length_b                   11.0802(5)
_cell_length_c                   21.8683(8)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.95
_cell_measurement_theta_min      4.15
_cell_volume                     2578.27(18)
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    'xtal GENTAN'
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_detector       'Bruker APEX II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'micro source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  .018
_diffrn_reflns_av_sigmaI/netI    .017
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33278
_diffrn_reflns_theta_max         67.4
_diffrn_reflns_theta_min         4.47
_exptl_absorpt_coefficient_mu    .823
_exptl_absorpt_correction_T_max  0.7529
_exptl_absorpt_correction_T_min  0.6631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'light brownish'
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1072
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ethylacetate:hexane, 3:1'
_exptl_crystal_size_max          0.580
_exptl_crystal_size_mid          0.444
_exptl_crystal_size_min          0.339
_refine_diff_density_max         .199
_refine_diff_density_min         -.164
_refine_ls_abs_structure_details Flack-parameter
_refine_ls_abs_structure_Flack   0.12(16)
_refine_ls_extinction_coef       1197(211)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.004
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     443
_refine_ls_number_reflns         4495
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .028
_refine_ls_R_factor_gt           .028
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w=1/[5.8\s^2^/(F)]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .03
_refine_ls_wR_factor_ref         .03
_reflns_d_resolution_high        .835
_reflns_d_resolution_low         9.864
_reflns_Friedel_coverage         .758
_reflns_limit_h_max              12
_reflns_limit_h_min              0
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_gt                4495
_reflns_number_total             4541
_reflns_threshold_expression     'I > 2.00 sig(I)'
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_cod_data_source_block           gr0778
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