An efficient merging of DBU/enolate and DBU/benzyl bromide organocycles for the synthesis of alpha benzylated 1-indanone derivatives
Singh, Shikha; Trivedi, Laxmikant; Vasudev, Prema G.; Passarella, Daniele; Negi, Arvind S.; New Journal of Chemistry 46 (2022) 7850–7854; doi:10.1039/D2NJ00783E

data_7061438
_publ_section_title
;
 An efficient merging of DBU/enolate and DBU/benzyl bromide organocycles
 for the synthesis of alpha benzylated 1-indanone derivatives
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7850
_journal_page_last               7854
_journal_paper_doi               10.1039/D2NJ00783E
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C29 H30 O9'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-12-15 deposited with the CCDC.	2022-04-04 downloaded from the CCDC.
;
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_cell_length_c                   19.3575(9)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.336
_cell_volume                     2513.5(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'BRUKER APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        24.712
_diffrn_reflns_theta_max         24.712
_diffrn_reflns_theta_min         2.336
_diffrn_source                   'Fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.103
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_description       platy
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.340
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_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
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_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^)+(0.0471P)^2^+1.8433P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1159
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6539
_reflns_number_total             8550
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj00783e2.cif
_cod_data_source_block           platon3
_cod_depositor_comments          'Adding full bibliography for 7061438.cif.'
_cod_database_code               7061438
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              20635