Multicomponent reaction of phosphines, benzynes and CO2: facile synthesis of stable zwitterionic phosphonium inner-salts.
Xie, Pei; Yang, Shoushan; Guo, Yuyu; Cai, Zhihua; Dai, Bin; He, Lin; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.0c00745

data_4038552
_publ_section_title
;
 Multicomponent reaction of phosphines, benzynes and CO2: facile synthesis
 of stable zwitterionic phosphonium inner-salts.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c00745
_journal_year                    2020
_chemical_formula_moiety         'C25 H19 O2 P'
_chemical_formula_sum            'C25 H19 O2 P'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_cell_volume                     2171.34(14)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -18
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0409P)^2^+0.5493P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25)
;
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_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'