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_7156442
_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 H54 O8 P2 Rh2'
_chemical_formula_sum            'C44 H54 O8 P2 Rh2'
_chemical_formula_weight         978.63
_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             2017-10-27
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Olex2 1.2
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2018-05-14 deposited with the CCDC.
2018-09-20 downloaded from the CCDC.
;
_cell_angle_alpha                78.689(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)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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;
  1 omega    9.00  104.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
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  2 omega   19.00  103.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
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  3 omega   19.00  103.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
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  4 omega  -32.00   63.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
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  5 omega   19.00  103.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
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  6 omega  -31.00   53.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -57.0000  -90.0000 84

  7 omega   40.00   98.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
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  8 omega   38.00   91.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -90.0000 53

  9 omega   91.00  176.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  -30.0000 85

 10 omega   39.00  109.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -120.0000 70

 11 omega   40.00   98.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000 -150.0000 58

 12 omega   39.00  109.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000  -30.0000 70

 13 omega   39.00  177.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000  -60.0000 138

 14 omega   17.00  105.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
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 15 omega  -31.00   53.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -57.0000   90.0000 84

 16 omega    9.00  102.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421   77.0000   60.0000 93

 17 omega    1.00   75.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.0421  -99.0000   60.0000 74

 18 omega   48.00   75.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.6671  -99.0000  -60.0000 27

 19 omega   38.00   63.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.6671  -77.0000   60.0000 25

 20 omega   73.00   98.00   1.0000    4.8500
omega____ theta____ kappa____ phi______ frames
    -       36.6671 -138.0000  121.0000 25

 21 omega   60.00   88.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000   90.0000 28

 22 omega   40.00   98.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000   30.0000 58

 23 omega   62.00  102.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -180.0000 40

 24 omega   62.00  112.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   30.0000 50

 25 omega   59.00   85.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000   60.0000 26

 26 omega   45.00   81.00   1.0000   19.4100
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  -30.0000 36
;
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_diffrn_source                   'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.143
_exptl_absorpt_correction_T_max  1.00000
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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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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_exptl_crystal_colour_modifier   reddish
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1115P)^2^+0.2632P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 7156441--7156442.cif.'
_cod_original_cell_volume        1102.96(11)
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_shelx_shelxl_version_number     2014/7
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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:
 C00B(H00B)
2.b Secondary CH2 refined with riding coordinates:
 C00C(H00A,H00C), C00M(H00Q,H00R), C00O(H00T,H00U), C00Q(H00W,H00X), C00S(H00Z,
 H)
2.c Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00E(H00E), C00F(H00F), C00H(H00J), C00I(H00K), C00J(H00L),
 C00K(H00M), C00N(H00S), C00P(H00V), C00R(H00Y)
2.d Idealised Me refined as rotating group:
 C00G(H00G,H00H,H00I), C00L(H00N,H00O,H00P)
;
_olex2_date_sample_data_collection 2017-10-26
_olex2_submission_special_instructions 'No special instructions were received'