Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.
DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.; Organic letters 13 (2011) 4862–4865; doi:10.1021/ol201947b

data_1502447
_publ_section_title
;
 Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed
 amidations of alkynyl bromides.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4862
_journal_page_last               4865
_journal_paper_doi               10.1021/ol201947b
_journal_volume                  13
_journal_year                    2011
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C23 H28 N O3 P'
_chemical_formula_sum            'C23 H28 N O3 P'
_chemical_formula_weight         397.43
_chemical_name_common            11121z
_space_group_IT_number           1
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_symmetry_space_group_name_Hall  'P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_beta                 93.647(2)
_cell_angle_gamma                97.854(2)
_cell_formula_units_Z            1
_cell_length_a                   5.8722(13)
_cell_length_b                   9.695(2)
_cell_length_c                   9.999(2)
_cell_measurement_reflns_used    2258
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.27
_cell_volume                     526.49(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6123
_diffrn_reflns_theta_full        27.58
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_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    0.154
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_exptl_absorpt_correction_T_min  0.9699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008/1)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             212
_exptl_crystal_size_max          0.20
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_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.274
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4634
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_refine_ls_R_factor_all          0.0679
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0345P)^2^+0.0608P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                3814
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol201947b_si_005.cif
_cod_data_source_block           11121z
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_cell_volume        526.5(2)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               1502447