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#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/05/2000554.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000554
loop_
_publ_author_name
'Hua, D. H.'
'Roche, D.'
'Bharathi, S. N.'
'Wu, X.'
'Robinson, P. D.'
_publ_section_title
;
 Structure of
 cis,cis-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane
 2-oxide
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1866
_journal_page_last               1868
_journal_paper_doi               10.1107/S0108270192002051
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H19 O3 P'
_chemical_formula_weight         314.32
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.54(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.726(6)
_cell_length_b                   14.234(7)
_cell_length_c                   20.080(10)
_cell_volume                     1635(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.171
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_F_000             664
_cod_data_source_file            cr0403.cif
_cod_data_source_block           cr0403a
_cod_original_cell_volume        1635(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H19 O3 P1'
_cod_database_code               2000554
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) .0949(4) .6692(2) .67460(10)
P(2) .16970(10) .63227(6) .74656(4)
O(3) .0947(3) .71210(10) .79560(10)
C(4) -.1395(6) .7525(2) .7857(2)
C(5) -.1667(6) .7892(2) .7149(2)
C(6) -.1336(6) .7131(3) .6625(2)
O(7) .4203(4) .6129(2) .75360(10)
C(8) -.1670(6) .8280(2) .8368(2)
C(9) -.0074(6) .8988(3) .8457(2)
C(10) -.0365(8) .9689(3) .8910(2)
C(11) -.2307(8) .9678(3) .9290(2)
C(12) -.3909(7) .8978(4) .9205(2)
C(13) -.3602(6) .8277(3) .8745(2)
C(14) -.1427(6) .7544(3) .5933(2)
C(15) .0337(7) .8100(3) .5717(2)
C(16) .0170(10) .8518(4) .5108(2)
C(17) -.1760(10) .8394(4) .4702(2)
C(18) -.3530(10) .7840(4) .4894(2)
C(19) -.3404(7) .7402(3) .5518(2)
C(20) -.0089(6) .5325(2) .7625(2)
C(21) .0330(7) .4966(3) .8313(2)
C(22) -.1180(10) .4973(3) .8768(2)
H(4) -.2527 .7049 .7919
H(5a) -.3191 .8149 .7083
H(5b) -.0537 .8370 .7091
H(6) -.2526 .6670 .6656
H(9) .1272 .8992 .8197
H(10) .0758 1.0178 .8963
H(11) -.2528 1.0158 .9611
H(12) -.5253 .8972 .9466
H(13) -.4733 .7792 .8688
H(15) .1700 .8194 .5996
H(16) .1409 .8901 .4966
H(17) -.1871 .8697 .4281
H(18) -.4869 .7748 .4604
H(19) -.4645 .7015 .5656
H(20a) -.1686 .5500 .7565
H(20b) .0253 .4841 .7318
H(21) .1829 .4711 .8426
H(22a) -.0780 .4730 .9198
H(22b) -.2700 .5222 .8674
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) P(2) 1.579(3)
O(1) C(6) 1.461(4)
P(2) O(3) 1.576(2)
P(2) O(7) 1.461(3)
P(2) C(20) 1.787(3)
O(3) C(4) 1.465(4)
C(4) C(5) 1.516(5)
C(4) C(8) 1.500(4)
C(5) C(6) 1.527(5)
C(6) C(14) 1.508(5)
C(20) C(21) 1.483(5)
C(21) C(22) 1.287(6)
