Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.
Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.; Journal of the American Chemical Society 137 (2015) 3743–3746; doi:10.1021/ja512389y

data_4123505
_publ_section_title
;
 Chemoselective hydrogenation of carbonyl compounds and acceptorless
 dehydrogenative coupling of alcohols.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3743
_journal_page_last               3746
_journal_paper_doi               10.1021/ja512389y
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C17 H27 N3 O1 P1 CL1 OS1'
_chemical_formula_sum            'C17 H31 Cl N3 O Os P'
_chemical_formula_weight         550.07
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_beta                 110.2750(10)
_cell_angle_gamma                90
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_cell_length_b                   10.7117(3)
_cell_length_c                   15.9847(5)
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      69.82
_cell_measurement_theta_min      4.13
_cell_volume                     2062.34(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      150
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            66993
_diffrn_reflns_point_group_measured_fraction_full 0.988
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_exptl_absorpt_correction_T_max  0.505
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_exptl_crystal_colour            Yellow
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       plate
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0140P)^2^+67.0271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1371
_refine_ls_wR_factor_ref         0.1374
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_reflns_number_total             3867
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja512389y_si_003.cif
_cod_data_source_block           dnsk20_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 

 Adding full bibliography for 4123505--4123506.cif.
;
_cod_database_code               4123505
_shelx_estimated_absorpt_t_min   0.408
_shelx_estimated_absorpt_t_max   0.548
_shelxl_version_number           2013-4
_shelx_res_checksum              70066
_shelx_hkl_checksum              52332