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_2020290
_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_moiety         'C10 H20 O7 P2'
_chemical_formula_structural     O{cyclo-P(O)OCH2CMe2CH2O}2
_chemical_formula_sum            'C10 H20 O7 P2'
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_chemical_name_systematic
;
2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.8434(2)
_cell_length_b                   11.3589(3)
_cell_length_c                   26.6986(8)
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_cell_measurement_theta_min      2.9018
_cell_volume                     2985.18(13)
_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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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       prism
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.18
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_refine_diff_density_min         -0.286
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_refine_ls_number_reflns         2141
_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0464
_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^)+(0.0182P)^2^+4.2243P] where P=(Fo^2^+2Fc^2^)/3'
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