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#$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $
#$Revision: 208466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/07/2000716.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_2000716
loop_
_publ_author_name
'Bélanger-Gariépy, F.'
'Bennani, Y. L.'
'Beaudoin, S.'
'Hanessian, S.'
_publ_section_title
;
 Structure of a chiral bicyclic β-hydroxyphosphonamide - an asymmetric
 olefination intermediate, C₂₅H₄₁N₂O₂P
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1533
_journal_page_last               1535
_journal_paper_doi               10.1107/S0108270191014671
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C25 H41 N2 O2 P1'
_chemical_formula_sum            'C25 H41 N2 O2 P'
_chemical_formula_weight         432.59
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.636(2)
_cell_length_b                   12.7590(10)
_cell_length_c                   18.185(2)
_cell_volume                     2467.8(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.138
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_F_000             944
_cod_data_source_file            cd0065.cif
_cod_data_source_block           cd0065a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        2467.8(5)
_cod_original_formula_sum        'C25 H41 N2 O2 P1'
_cod_database_code               2000716
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z
4 -x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P .56485(11) .12040(9) .47265(6) .042
O(1) .4516(3) .1871(2) .4795(2) .052
O(2) .7098(2) .3181(2) .46380(10) .043
N(1) .5350(3) -.0074(2) .4646(2) .044
N(2) .6584(3) .1056(3) .5450(2) .042
C(1) .6286(4) -.0682(3) .5037(2) .048
C(2) .5960(4) -.1798(3) .5258(3) .063
C(3) .7107(5) -.2254(4) .5661(3) .081
C(4) .7529(5) -.1571(4) .6299(3) .081
C(5) .7751(5) -.0422(4) .6086(2) .066
C(6) .6575(4) -.0033(3) .5706(2) .049
C(7) .4704(5) -.0513(4) .4017(3) .075
C(8) .6674(4) .1865(4) .6015(2) .059
C(9) .6588(4) .1611(3) .3925(2) .039
C(10) .6882(4) .2810(3) .3904(2) .039
C(11) .8017(4) .3055(3) .3415(2) .042
C(12) .8273(4) .4240(3) .3360(2) .044
C(13) .7144(4) .4866(3) .3095(2) .044
C(14) .5997(4) .4594(3) .3564(2) .053
C(15) .5748(4) .3419(3) .3610(2) .051
C(16) .7407(4) .6070(3) .3053(2) .048
C(17) .8630(5) .6280(4) .2618(3) .080
C(18) .7555(6) .6539(4) .3811(3) .073
C(19) .6319(5) .6625(4) .2662(3) .089
C(20) .7704(4) .0886(3) .3822(2) .039
C(21) .8735(4) .0889(3) .4278(2) .047
C(22) .9725(4) .0184(4) .4177(3) .062
C(23) .9692(5) -.0523(4) .3611(3) .074
C(24) .8676(5) -.0533(4) .3150(3) .074
C(25) .7687(5) .0164(3) .3244(2) .052
H(O2) .781(3) .316(2) .476(2) ?
H(1) .705(3) -.074(2) .4750(10) ?
H(2A) .516(3) -.176(3) .558(2) ?
H(2B) .570(4) -.220(3) .487(2) ?
H(3A) .693(3) -.298(3) .583(2) ?
H(3B) .778(3) -.233(3) .531(2) ?
H(4A) .683(4) -.156(3) .667(2) ?
H(4B) .827(3) -.187(3) .652(2) ?
H(5A) .791(3) .005(3) .656(2) ?
H(5B) .848(3) -.036(3) .572(2) ?
H(6) .588(3) -.014(2) .6050(10) ?
H(7A) .527(4) -.079(4) .360(2) ?
H(7B) .426(4) -.106(3) .415(2) ?
H(7C) .399(4) .004(3) .384(2) ?
H(8A) .642(4) .266(3) .575(2) ?
H(8B) .755(4) .202(3) .618(2) ?
H(8C) .611(4) .175(3) .642(2) ?
H(9) .593(3) .143(2) .349(2) ?
H(11A) .881(3) .270(3) .360(2) ?
H(11B) .789(3) .277(2) .295(2) ?
H(12A) .852(3) .445(3) .382(2) ?
H(12B) .899(3) .429(2) .302(2) ?
H(13) .696(3) .457(3) .258(2) ?
H(14A) .632(4) .487(3) .408(2) ?
H(14B) .515(4) .490(3) .337(2) ?
H(15A) .565(3) .315(3) .315(2) ?
H(15B) .506(3) .328(3) .393(2) ?
H(17A) .852(5) .593(4) .213(2) ?
H(17B) .941(6) .603(4) .287(3) ?
H(17C) .865(4) .707(3) .250(2) ?
H(18A) .821(4) .620(3) .412(2) ?
H(18B) .665(6) .649(4) .410(3) ?
H(18C) .774(4) .726(3) .373(2) ?
H(19A) .641(5) .630(4) .215(3) ?
H(19B) .554(3) .658(3) .295(2) ?
H(19C) .651(4) .745(3) .266(2) ?
H(21) .885(3) .142(3) .468(2) ?
H(22) 1.048(4) .023(3) .453(2) ?
H(23) 1.033(3) -.111(3) .356(2) ?
H(24) .859(4) -.109(3) .279(2) ?
H(25) .693(3) .024(2) .291(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
P O(1) 1.480(3)
P N(1) 1.668(3)
P N(2) 1.660(3)
P C(9) 1.842(4)
N(1) C(1) 1.449(5)
N(1) C(7) 1.447(6)
N(2) C(6) 1.465(5)
N(2) C(8) 1.460(5)
C(1) C(2) 1.520(6)
C(2) C(3) 1.538(7)
C(3) C(4) 1.519(7)
C(4) C(5) 1.535(8)
C(5) C(6) 1.513(7)
C(6) C(1) 1.503(6)
C(9) C(10) 1.562(6)
C(10) O(2) 1.435(5)
C(10) C(11) 1.532(6)
C(11) C(12) 1.540(6)
C(12) C(13) 1.521(6)
C(13) C(14) 1.528(6)
C(14) C(15) 1.525(6)
C(15) C(10) 1.531(6)
C(13) C(16) 1.563(6)
C(16) C(17) 1.546(7)
C(16) C(18) 1.511(6)
C(16) C(19) 1.534(7)
C(9) C(20) 1.517(6)
C(20) C(21) 1.375(6)
C(21) C(22) 1.397(6)
C(22) C(23) 1.369(7)
C(23) C(24) 1.368(8)
C(24) C(25) 1.388(7)
C(25) C(20) 1.398(6)
O(2) H(O2) 0.79(3)
C(1) H(1) 0.97(3)
C(2) H(2A) 1.03(3)
C(2) H(2B) 0.92(4)
C(3) H(3A) 0.99(4)
C(3) H(3B) 0.96(4)
C(4) H(4A) 1.00(4)
C(4) H(4B) 0.96(4)
C(5) H(5A) 1.07(3)
C(5) H(5B) 1.03(3)
C(6) H(6) 0.98(3)
C(7) H(7A) 1.03(4)
C(7) H(7B) 0.88(4)
C(7) H(7C) 1.09(4)
C(8) H(8A) 1.16(4)
C(8) H(8B) 1.00(4)
C(8) H(8C) 0.96(4)
C(9) H(9) 1.08(3)
C(11) H(11A) 1.02(4)
C(11) H(11B) 0.93(3)
C(12) H(12A) 0.92(3)
C(12) H(12B) 0.98(3)
C(13) H(13) 1.03(3)
C(14) H(14A) 1.06(4)
C(14) H(14B) 1.04(4)
C(15) H(15A) 0.91(3)
C(15) H(15B) 0.95(3)
C(17) H(17A) 1.00(5)
C(17) H(17B) 1.00(6)
C(17) H(17C) 1.03(4)
C(18) H(18A) 0.99(4)
C(18) H(18B) 1.10(6)
C(18) H(18C) 0.95(4)
C(19) H(19A) 1.02(5)
C(19) H(19B) 0.98(4)
C(19) H(19C) 1.07(4)
C(21) H(21) 1.00(3)
C(22) H(22) 1.03(4)
C(23) H(23) 1.02(4)
C(24) H(24) 0.97(4)
C(25) H(25) 1.01(3)
