Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.
Ma, Ziling; Wang, Yuanhua; Organic & biomolecular chemistry 16 (2018) 7470–7476; doi:10.1039/c8ob01997e

data_7156441
_publ_section_title
;
 Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of
 \a,\b-unsaturated aldehydes with arylboronic acids.
;
_journal_issue                   40
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              7470
_journal_page_last               7476
_journal_paper_doi               10.1039/c8ob01997e
_journal_volume                  16
_journal_year                    2018
_chemical_formula_moiety         'C44 H66 O8 P2 Rh2'
_chemical_formula_sum            'C44 H66 O8 P2 Rh2'
_chemical_formula_weight         990.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_date             2017-10-26
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Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
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2018-05-14 deposited with the CCDC.
2018-09-20 downloaded from the CCDC.
;
_cell_angle_alpha                86.402(4)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
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 11 omega  -31.00   53.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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 12 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -90.0000 53

 13 omega   40.00   98.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 14 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -150.0000 53

 15 omega   39.00  109.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 16 omega   38.00  116.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000 -150.0000 78

 17 omega   37.00  146.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -15.0000 -180.0000 109

 18 omega   38.00  116.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 19 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 20 omega   40.00   98.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 21 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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 22 omega   40.00   98.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  150.0000 58

 23 omega   39.00  109.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000   90.0000 70

 24 omega   38.00   91.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -60.0000 53

 25 omega   40.00  135.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000 -120.0000 95

 26 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000   90.0000 94

 27 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000    0.0000 94

 28 omega  -31.00   53.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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 29 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000  -90.0000 94

 30 omega  -33.00   55.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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 31 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000  150.0000 94

 32 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000 -150.0000 94
;
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_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
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_diffrn_reflns_av_unetI/netI     0.0349
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_diffrn_source                   'Enhance (Cu) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            'dull reddish red'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0803P)^2^+0.1907P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7156441--7156442.cif.'
_cod_original_cell_volume        1160.72(11)
_cod_database_code               7156441
_shelx_shelxl_version_number     2014/7
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
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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
2.a Ternary CH refined with riding coordinates:
 C007(H007), C008(H008)
2.b Secondary CH2 refined with riding coordinates:
 C00C(H00A,H00B), C00D(H00C,H00D), C00F(H00F,H00G), C00G(H00H,H00I), C00H(H00J,
 H00K), C00K(H00P,H00Q), C00L(H00R,H00S), C00M(H00T,H00U), C00N(H00V,H00W),
 C00O(H00X,H00Y)
2.c Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00I(H00L), C00Q(H00), C00R(H0AA), C00S(H1AA)
2.d Idealised Me refined as rotating group:
 C00J(H00M,H00N,H00O), C00P(H00Z,H,HA)
;
_olex2_date_sample_data_collection 2017-10-26
_olex2_submission_special_instructions 'No special instructions were received'