Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction
Tian, Junjun; He, Zhengjie; Chemical Communications (Cambridge, United Kingdom) 49 (2013) 2058–2060; doi:10.1039/c3cc38264h

data_7112373
_publ_section_title
;
 Phosphine-catalyzed [3+2] annulation of \a-substituted allenoates with
 ester-activated \a,\b-unsaturated imines: a novel variation of the Lu
 [3+2] cycloaddition reaction
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   20
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2058
_journal_page_last               2060
_journal_paper_doi               10.1039/c3cc38264h
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C32 H32 N O6 S'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 86.02(3)
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_cell_formula_units_Z            2
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_cell_length_b                   12.053(2)
_cell_length_c                   14.310(3)
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_cell_measurement_theta_max      27.9064
_cell_measurement_theta_min      2.7226
_cell_volume                     1493.6(6)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
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_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         27.94
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_exptl_absorpt_correction_T_min  0.9703
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_duplicate_entry             7108908
_cod_data_source_file            c3cc38264h.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1493.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7112373