data_2010356
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  105
_journal_page_last  107
_publ_section_title
;
T {\bf 1-[2-(ethoxycarbonyl)cyclopentyl]triphenylphosphonium Bromide}
;
loop_
_publ_author_name
  'Boys, D.'
  'Araya-Maturana, R.'
  'Gonzalez, O.'
  'Manriquez, V.'
_chemical_formula_sum  'C26 H28 O2 P +. Br -'
_chemical_formula_weight  483.4
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  8.875(2)
_cell_length_b  9.826(2)
_cell_length_c  26.468(5)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  2308.2(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.391
_refine_ls_R_factor_obs  0.032
_refine_ls_wR_factor_obs  0.031
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Br .67860(10)
  1.02620(10)
  .13810(10)
  .0470(10)
  P .3540(2) .5374(2) .13450(10)
  .0280(10)
  O(1) .6081(6) .4206(5) .0869(2) .043(2)
  O(2) .7822(7) .5594(8) .1191(2) .068(3)
  C(1) .5446(8) .5301(8) .1634(3) .028(3)
  C(2) .5833(10) .6640(7) .1927(3) .037(3)
  C(3) .6293(12) .6169(9) .2450(3) .065(4)
  C(4) .6673(13) .4748(9) .2429(3) .068(4)
  C(5) .5645(10) .4122(7) .2027(3) .037(3)
  C(6) .6598(11) .5061(9) .1208(3) .040(4)
  C(7) .6998(11) .3922(9) .0424(3) .060(4)
  C(8) .6349(14) .2728(10) .0168(3) .090(6)
  C(11) .2269(9) .6331(8) .1740(3) .027(3)
  C(12) .1319(10) .7308(8) .1520(3) .037(3)
  C(13) .0202(11) .7948(9) .1817(3) .044(4)
  C(14) .0102(12) .7627(9) .2318(3) .053(4)
  C(15) .1050(11) .6669(9) .2540(4) .047(4)
  C(16) .2123(10) .6018(8) .2246(3) .036(3)
  C(21) .2651(10) .3742(8) .1267(3) .029(3)
  C(22) .1068(11) .3712(10) .1264(3) .039(4)
  C(23) .0285(11) .2507(10) .1209(3) .047(4)
  C(24) .1098(14) .1303(11) .1165(3) .050(4)
  C(25) .2638(13) .1310(10) .1174(3) .046(4)
  C(26) .3428(10) .2517(8) .1221(3) .037(3)
  C(31) .3689(8) .6253(8) .0750(3) .028(3)
  C(32) .4350(10) .7541(8) .0733(3) .037(3)
  C(33) .4525(11) .8217(9) .0282(3) .047(4)
  C(34) .4034(11) .7603(11) -.0154(3) .054(4)
  C(35) .3360(13) .6324(10) -.0150(3) .056(4)
  C(36) .3226(10) .5652(8) .0302(3) .039(3)
  H(2A) .4967 .7222 .1948 .040
  H(2B) .6633 .7130 .1764 .040
  H(3A) .5493 .6318 .2688 .070
  H(3B) .7156 .6680 .2559 .070
  H(4A) .6497 .4325 .2750 .070
  H(4B) .7713 .4626 .2340 .070
  H(5A) .6116 .3346 .1874 .040
  H(5B) .4696 .3848 .2169 .040
  H(7A) .8014 .3708 .0520 .060
  H(7B) .7012 .4692 .0201 .060
  H(8A) .6901 .2484 -.0131 .090
  H(8B) .6340 .1973 .0398 .090
  H(8C) .5334 .2960 .0078 .090
  H(12A) .1419 .7543 .1169 .040
  H(13A) -.0468 .8610 .1674 .050
  H(14A) -.0617 .8099 .2525 .060
  H(15A) .0930 .6448 .2891 .050
  H(16A) .2776 .5354 .2397 .040
  H(22A) .0515 .4545 .1302 .040
  H(23A) -.0796 .2493 .1201 .050
  H(24A) .0563 .0460 .1128 .060
  H(25A) .3168 .0462 .1145 .050
  H(26A) .4509 .2510 .1224 .040
  H(32A) .4685 .7958 .1041 .040
  H(33A) .4971 .9107 .0270 .050
  H(34A) .4177 .8061 -.0470 .060
  H(35A) .3015 .5917 -.0459 .060
  H(36A) .2776 .4765 .0320 .040
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  P C(1) 1.857(8) yes
  P C(11) 1.803(8) yes
  P C(21) 1.800(9) yes
  P C(31) 1.802(8) yes
  O(1) C(6) 1.313(10) yes
  O(1) C(7) 1.458(10) yes
  O(2) C(6) 1.206(11) yes
  C(1) C(2) 1.565(11) yes
  C(1) C(5) 1.569(11) yes
  C(2) C(3) 1.517(12) yes
  C(3) C(4) 1.438(13) yes
  C(4) C(5) 1.529(13) yes
  C(1) C(6) 1.539(11) yes
  C(7) C(8) 1.472(13) yes
  C(11) C(12) 1.404(11) no
  C(12) C(13) 1.414(12) no
  C(14) C(15) 1.392(13) no
  C(21) C(22) 1.405(13) no
  C(22) C(23) 1.380(13) no
  C(24) C(25) 1.367(17) no
  C(31) C(32) 1.396(11) no
  C(32) C(33) 1.374(12) no
  C(34) C(35) 1.392(15) no
  C(11) C(16) 1.381(11) no
  C(13) C(14) 1.366(13) no
  C(15) C(16) 1.386(12) no
  C(21) C(26) 1.393(12) no
  C(23) C(24) 1.390(15) no
  C(25) C(26) 1.383(13) no
  C(31) C(36) 1.385(11) no
  C(33) C(34) 1.373(13) no
  C(35) C(36) 1.373(12) no