data_2004871
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1316
_journal_page_last     1317
_publ_section_title
;
(2R,5S)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane--Borane
;
_chemical_formula_moiety     'C17 H22 B1 N2 P1'
_chemical_formula_sum     'C17 H22 B1 N2 P1'
_chemical_formula_weight     296.16
_symmetry_cell_setting    'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2-x,-y,1/2+z'
'-x,1/2+y,1/2-z'
'1/2+x,1/2-y,-z'
_symmetry_space_group_name_H-M     'P 21 21 21'
_cell_length_a     10.197(2)
_cell_length_b     9.086(2)
_cell_length_c     17.807(5)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     1649.8(6)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.19
_cell_measurement_temperature     291
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P1 .78870(10)
            .87650(10)
                     .10960(10)
                              .0510(10)
N2 .7470(2) .7076(3) .13570(10)
                              .0580(10)
C3 .8478(3) .6421(3) .1864(2) .0600(10)
C4 .9771(3) .7180(3) .1685(2) .0580(10)
N5 .9427(2) .8670(2) .14340(10)
                              .0540(10)
C6 .6980(4) .5936(4) .0836(2) .0750(10)
C7 .8015(4) .4750(4) .0870(2) .0810(10)
C8 .8458(4) .4771(3) .1686(2) .0760(10)
B9 .7647(5) .9174(5) .0053(2) .0820(10)
C10 .7064(3) 1.0031(3) .17200(10)
                                .0550(10)
C11 .6269(3) 1.1126(4) .1431(2) .0770(10)
C12 .5597(4) 1.2077(5) .1909(3) .099(2)
C13 .5715(4) 1.1913(5) .2663(4) .100(2)
C14 .6506(4) 1.0832(5) .2970(3) .0930(10)
C15 .7197(4) .9901(4) .2495(2) .0720(10)
C16 1.0414(3) .9689(3) .12760(10)
                                .0510(10)
C17 1.0121(3) 1.1139(3) .1085(2) .0630(10)
C18 1.1114(4) 1.2135(3) .0918(2) .0700(10)
C19 1.2404(3) 1.1738(4) .0957(2) .0730(10)
C20 1.2701(3) 1.0312(4) .1160(2) .0720(10)
C21 1.1739(3) .9285(3) .1313(2) .0600(10)
H3 .8310(3) .6564(3) .2458(2) .0940(10)
H4A 1.0283(3) .6596(3) .1246(2) .0940(10)
H4B 1.0381(3) .7231(3) .2180(2) .0940(10)
H6A .6042(4) .5518(4) .1019(2) .0940(10)
H6B .6890(4) .6369(4) .0273(2) .0940(10)
H7A .7608(4) .3691(4) .0723(2) .0940(10)
H7B .8822(4) .5001(4) .0498(2) .0940(10)
H8A .7772(4) .4195(3) .2042(2) .0940(10)
H8B .9421(4) .4292(3) .1749(2) .0940(10)
H11 .6169(3) 1.1245(4) .0831(2) .0940(10)
H12 .4986(4) 1.2938(5) .1680(3) .0940(10)
H13 .5179(4) 1.2641(5) .3032(4) .0940(10)
H14 .6586(4) 1.0714(5) .3572(3) .0940(10)
H15 .7839(4) .9072(4) .2728(2) .0940(10)
H17 .9111(3) 1.1494(3) .1066(2) .0940(10)
H18 1.0860(4) 1.3244(3) .0755(2) .0940(10)
H19 1.3170(3) 1.2520(4) .0831(2) .0940(10)
H20 1.3718(3) .9989(4) .1202(2) .0940(10)
H21 1.2008(3) .8171(3) .1459(2) .0940(10)
H9A .799(4)   1.033(5)   .005(2)   .0940(10)
H9B .652(4)   .912(5)   -.005(3)   .0940(10)
H9C .823(4)   .839(5)   -.027(3)   .0940(10)