A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide
Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S205322961502015X

data_2020289
_publ_section_title
;
 A new route for the synthesis of phosphate esters:
 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane)
 2,2'-dioxide
;
_journal_coeditor_code           QS3050
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322961502015X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C16 H24 O8 P2'
_chemical_formula_moiety         'C16 H24 O8 P2'
_chemical_formula_structural     C6H4{O(cyclo-P(O)OCH2CMe2CH2O)}2
_chemical_formula_sum            'C16 H24 O8 P2'
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_chemical_name_systematic
;
2,2'-[Benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane)
2,2'-dioxide
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
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_cell_angle_beta                 110.270(4)
_cell_angle_gamma                111.616(5)
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_cell_length_b                   10.2415(5)
_cell_length_c                   11.6998(5)
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_cell_volume                     971.75(10)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2010)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2010)
;
_computing_data_reduction
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CrysAlis PRO (Agilent, 2010)
;
_computing_molecular_graphics
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ORTEPII (Johnson, 1976) and ORTEP-3 for Windows (Farrugia, 2012)
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_computing_publication_material
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SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 2012)
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_computing_structure_refinement
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SHELXL2014 (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008)
;
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;
(CrysAlis PRO; Agilent, 2010)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
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_exptl_crystal_size_max          0.28
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_exptl_crystal_size_min          0.22
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_refine_ls_number_reflns         3522
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0378
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+0.2387P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               2020289
_cod_database_fobs_code          2020289
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