Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.
Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos; Organic & biomolecular chemistry 17 (2019) 3167–3180; doi:10.1039/c9ob00358d

data_7156699
_publ_section_title
;
 Diastereoselectivity in the boron aldol reaction of \a-alkoxy and
 \a,\b-bis-alkoxy methyl ketones.
;
_journal_issue                   12
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3167
_journal_page_last               3180
_journal_paper_doi               10.1039/c9ob00358d
_journal_volume                  17
_journal_year                    2019
_chemical_formula_moiety         '2(C24 H42 O5 Si)'
_chemical_formula_sum            'C48 H84 O10 Si2'
_chemical_formula_weight         877.33
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
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_audit_update_record
;
2018-08-20 deposited with the CCDC.    2019-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                85.901(5)
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_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEX CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_av_unetI/netI     0.0488
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_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_limit_k_min       -21
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0788P)^2^+0.5514P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 7156698--7156700.cif.'
_cod_database_code               7156699
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_shelx_estimated_absorpt_t_max   0.962
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C34(H34), C35(H35), C38(H38), C10(H10), C11(H11), C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C37(H37A,H37B), C8(H8A,H8B), C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C27(H27), C28(H28), C30(H30), C31(H31), C3(H3), C4(H4A), C6(H6), C7(H7)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C33(H33A,H33B,H33C), C40(H40A,H40B,H40C), C41(H41A,H41B,
 H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C1(H1A,H1B,H1C), C9(H9A,
 H9B,H9C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C)
;
_shelx_res_checksum              34577
_olex2_submission_special_instructions 'No special instructions were received'