#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000144.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2000144 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 2598 _journal_page_last 2603 loop_ _publ_author_name 'Czerwinski, E.W.' _chemical_formula_sum 'C32 H38 N2 O5' _chemical_formula_weight 530.7 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2 1' _symmetry_space_group_name_Hall 'C 2y' _cell_length_a 30.638(6) _cell_length_b 6.234(2) _cell_length_c 15.262(3) _cell_angle_alpha 90 _cell_angle_beta 93.95(2) _cell_angle_gamma 90 _cell_volume 2907.9 _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.211 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1136 _exptl_absorpt_coefficient_mu 0.62 _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54184 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C1 .20944(8) .3842(5) .2242(2) C2 .16972(8) .3981(6) .2770(2) C3 .17012(8) .5370(5) .3467(2) C4 .20648(9) .6743(6) .3710(2) C5 .23821(8) .7020(5) .3144(2) C6 .27475(9) .8496(6) .3340(2) C7 .30572(9) .8807(5) .2773(2) C8 .30827(8) .7648(5) .1924(2) C9 .28038(7) .5606(4) .1924(2) C10 .23370(7) .600 .2229(2) C11 .28336(7) .4266(5) .1084(2) O11 .25793(5) .5281(4) .03600(10) C12 .33069(7) .3869(5) .0857(2) C13 .35865(7) .5909(5) .0865(2) C14 .35522(8) .6982(5) .1767(2) C15 .39167(8) .8656(6) .1815(2) C16 .42811(8) .7716(5) .1296(2) C17 .40967(7) .5587(5) .0896(2) O17 .41932(5) .3750(3) .14300(10) C18 .34466(9) .7416(6) .0096(2) C19 .20632(8) .7596(5) .1649(2) C20 .42459(8) .5121(5) -.0031(2) O20 .43663(7) .6533(4) -.05090(10) C21 .42256(8) .2828(6) -.0349(2) O22 .42085(5) .2766(5) -.12850(10) C23 .45896(8) .2757(6) -.1646(2) O23 .49340(6) .2647(4) -.12240(10) C24 .45390(10) .2900(10) -.2619(2) C25 .47141(9) .7466(6) .1839(2) C26 .27630(10) .9769(8) .4181(2) C27 .13000(10) .2901(8) .2763(2) N28 .10636(8) .3554(6) .3420(2) N29 .13125(8) .5071(5) .3845(2) C30 .11446(9) .6123(7) .4589(2) C31 .12670(10) .8166(8) .4813(2) C32 .11230(10) .9090(10) .5584(3) C33 .0857(2) .7930(10) .6086(3) C34 .07180(10) .5990(10) .5832(3) C35 .08670(10) .4950(9) .5090(2) H1A .2030(10) .316(7) .163(2) H1B .2260(8) .278(6) .253(2) H4 .2088(9) .760(7) .424(2) H7 .3278(9) .995(6) .290(2) H8 .2988(9) .861(7) .141(2) H9 .2946(7) .465(5) .237(2) H11 .2718(8) .282(6) .118(2) H11O .246(2) .880(10) -.001(4) H12A .3290(9) .315(6) .025(2) H12B .3442(8) .271(5) .127(2) H14 .3622(8) .588(6) .214(2) H15A .3800(10) 1.005(6) .162(2) H15B .4020(10) .878(9) .243(2) H16 .4321(8) .861(6) .077(2) H17O .4460(8) .365(6) .143(2) H18A .3148(8) .813(6) .016(2) H18B .3420(10) .630(10) -.049(2) H18C .3582(9) .841(6) -.001(2) H19A .1777(9) .778(7) .192(2) H19B .2020(10) .711(7) .099(2) H19C .2192(8) .882(6) .165(2) H21A .3900(10) .222(8) -.019(2) H21B .4493(8) .208(5) -.0090(10) H24A .4300(10) .230(8) -.277(2) H24B .4480(10) .410(9) -.287(2) H24C .4800(10) .291(9) -.284(2) H25A .4670(10) .620(10) .235(2) H25B .4859(9) .889(7) .204(2) H25C .4960(10) .671(7) .147(2) H26A .2460(10) 1.053(9) .420(2) H26B .2750(10) .850(10) .471(3) H26C .3000(10) 1.050(10) .427(3) H27 .1220(10) .174(7) .242(2) H31 .1460(10) .899(7) .447(2) H32 .1200(10) 1.070(10) .580(3) H33 .0810(10) .900(10) .667(2) H34 .0500(10) .520(10) .618(3) H35 .0790(10) .340(10) .487(2)