Efficient route to atropisomeric ligands–application to the synthesis of MeOBIPHEP analogues.
Leseurre, Lucie; d'Herouville, Florent Le Boucher; Püntener, Kurt; Scalone, Michelangelo; Genêt, Jean-Pierre; Michelet, Véronique; Organic letters 13 (2011) 3250–3253; doi:10.1021/ol2011874

data_1502251
_publ_section_title
;
 Efficient route to atropisomeric ligands--application to the synthesis of
 MeOBIPHEP analogues.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              3250
_journal_page_last               3253
_journal_paper_doi               10.1021/ol2011874
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C54 H52 B F4 O10 P2 Rh'
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_cell_length_a                   10.3475(7)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
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_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
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_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
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_computing_molecular_graphics    XSHELL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.91
_diffrn_measured_fraction_theta_full 0.996
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'Goniometer Xcalibur, detector: Ruby (Gemini ultra Mo)'
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_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
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_exptl_absorpt_coefficient_mu    0.389
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.28 (release 05-12-2008 CrysAlis171 .NET)
(compiled Dec  5 2008,16:01:47)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.35
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_refine_diff_density_max         0.623
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_goodness_of_fit_ref   1.019
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_refine_ls_number_reflns         7294
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_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1244P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1757
_refine_ls_wR_factor_ref         0.1831
_reflns_number_gt                5645
_reflns_number_total             7294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol2011874_si_001.cif
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P2(1)   '
_cod_database_code               1502251