data_2000430 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1940 _journal_page_last 1945 loop_ _publ_author_name 'Llamas-Saiz, A.L.' 'Foces-Foces, C.' 'Elguero, J.' 'Molina, P.' 'Alajarin, M.' 'Vidal, A.' _chemical_formula_sum 'C24 H21 N2 P1' _chemical_formula_weight 368.42 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'I 2/a' _symmetry_space_group_name_Hall ? _cell_length_a 30.4088(15) _cell_length_b 11.5561(3) _cell_length_c 22.9996(10) _cell_angle_alpha 90. _cell_angle_beta 101.437(3) _cell_angle_gamma 90. _cell_volume 7921.7(6) _cell_formula_units_Z 16 _exptl_crystal_density_diffrn 1.236 _exptl_crystal_density_meas ? _exptl_crystal_F_000 3104 _exptl_absorpt_coefficient_mu 1.2805 _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.5418 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C(1) .49882(6) -.08164(16) .37900(8) .0436(5) C(2) .51553(6) .03087(17) .39341(9) .0506(6) C(3) .54648(8) .0785(2) .36347(12) .0645(8) C(4) .56103(8) .0174(2) .31902(12) .0685(9) C(5) .54550(8) -.0923(2) .30480(10) .0624(8) C(6) .51477(7) -.14169(18) .33470(9) .0518(6) N(11) .46838(5) -.12387(14) .41199(7) .0495(5) P(12) .43333(2) -.22345(4) .39304(2) .03950(10) C(13) .39990(6) -.22678(17) .45003(8) .0462(6) C(14) .38831(8) -.12275(19) .47360(10) .0587(7) C(15) .36231(8) -.1228(2) .51677(11) .0666(8) C(16) .34829(8) -.2257(2) .53715(10) .0651(8) C(17) .36005(8) -.3289(2) .51469(11) .0658(8) C(18) .38552(7) -.33013(18) .47081(10) .0556(7) C(19) .39595(6) -.20152(15) .32212(8) .0447(5) C(20) .35606(7) -.14030(19) .31898(10) .0557(7) C(21) .32931(8) -.1141(2) .26401(12) .0689(8) C(22) .34217(8) -.1466(2) .21279(11) .0697(8) C(23) .38155(9) -.2056(2) .21521(10) .0677(8) C(24) .40809(7) -.23414(19) .26938(9) .0546(6) C(25) .45645(7) -.36710(17) .39082(9) .0495(6) C(26) .43360(10) -.45784(19) .35824(11) .0700(9) C(27) .45393(15) -.5661(2) .36011(15) .1057(16) C(28) .49616(19) -.5832(4) .3945(2) .132(2) C(29) .51821(13) -.4942(4) .4265(2) .1196(18) C(30) .49900(8) -.3852(3) .42525(13) .0771(10) N(31) .49842(7) .09373(17) .43600(9) .0670(7) C(1B) .25683(6) .04717(16) .12981(8) .0440(6) C(2B) .23887(6) -.06427(17) .11558(8) .0470(6) C(3B) .21065(7) -.1143(2) .14872(10) .0604(7) C(4B) .19981(8) -.0583(2) .19679(11) .0672(8) C(5B) .21680(9) .0509(2) .21136(11) .0683(9) C(6B) .24465(8) .10343(19) .17786(10) .0580(7) N(11B) .28469(5) .09041(14) .09352(7) .0476(5) P(12B) .319340(10) .19226(4) .10898(2) .03770(10) C(13B) .34852(6) .20659(16) .04845(8) .0434(5) C(14B) .33436(7) .14590(19) -.00417(9) .0526(6) C(15B) .35669(8) .1605(2) -.05056(9) .0648(8) C(16B) .39258(8) .2354(2) -.04510(10) .0646(8) C(17B) .40655(7) .2978(2) .00697(10) .0599(7) C(18B) .38462(7) .28315(18) .05359(9) .0516(6) C(19B) .36161(6) .17148(16) .17540(8) .0476(6) C(20B) .40038(8) .1099(2) .17302(12) .0667(8) C(21B) .43027(9) .0829(3) .22572(19) .0960(13) C(22B) .42119(13) .1149(3) .27943(16) .1054(14) C(23B) .38328(13) .1732(3) .28171(12) .0954(13) C(24B) .35324(9) .2030(2) .23026(9) .0664(8) C(25B) .29494(7) .33371(17) .11471(8) .0481(6) C(26B) .31928(9) .42827(19) .14101(10) .0612(8) C(27B) .29844(15) .5353(2) .14051(16) .0880(14) C(28B) .25422(17) .5480(3) .1143(2) .1148(19) C(29B) .23012(15) .4555(4) .0895(2) .1215(19) C(30B) .25008(9) .3474(3) .08899(15) .0828(11) N(31B) .25234(8) -.12332(19) .06952(9) .0672(7) H(3) .5570(9) .158(3) 3743(12) .054(8) H(4) .5825(9) .052(3) .2979(12) .053(8) H(5) .5570(9) -.135(2) .2754(12) .048(7) H(6) .5048(9) -.218(2) .3259(12) .045(7) H(14) .3988(8) -.049(2) .4596(11) .038(6) H(15) .3541(10) -.046(3) .5322(13) .060(8) H(16) .3306(9) -.227(2) .5681(12) .045(7) H(17) .3503(10) -.402(3) .5289(13) .057(8) H(18) .3924(8) -.404(2) .4555(10) .034(6) H(20) .3480(8) -.116(2) .3558(10) .033(6) H(21) .3025(11) -.076(3) .2653(14) .072(10) H(22) .3223(11) -.124(3) .1762(14) .073(10) H(23) .3915(10) -.229(3) .1789(14) .063(9) H(24) .4358(8) -.274(2) .2724(11) .042(7) H(26) .4027(10) -.448(3) .3356(14) .063(9) H(27) .4354(14) -.623(4) .3361(18) .102(14) H(28) .5110(17) -.665(5) .398(2) .139(18) H(29) .5471(16) -.497(4) .450(2) .121(16) H(30) .5144(13) -.318(3) .4471(17) .090(12) H(311) .4823(10) .042(3) .4586(14) .065(9) H(312) .5194(13) .144(3) .4582(16) .091(12) H(3B) .1993(10) -.193(3) .1362(13) .054(8) H(4B) .1793(9) -.095(2) .2213(12) .051(7) H(5B) .2118(10) .092(3) .2483(13) .060(8) H(6B) .2557(9) .179(2) .1876(12) .046(7) H(14B) .3080(8) .093(2) -.0084(10) .031(6) H(15B) .3465(9) .118(2) -.0861(12) .046(7) H(16B) .4086(9) .246(2) -.0746(11) .045(7) H(17B) .4314(8) .351(2) .0115(11) .039(6) H(18B) 3956(9) .328(2) .0914(12) .049(7) H(20B) .4055(9) .085(3) .1329(12) .050(17) H(21B) .4549(13) .042(4) .2175(17) .097(13) H(22B) .4436(14) .094(4) .3154(18) .105(13) H(23B) .3749(13) .196(3) .3203(17) .091(12) H(24B) .3240(10) .247(3) .2321(13) .061(8) H(26B) .3519(9) .417(2) .1608(11) .038(7) H(27B) .3155(12) .592(3) .1588(16) .072(11) H(28B) .2396(16) .623(4) .115(2) .114(15) H(29B) .1974(18) .461(5) .070(2) .128(17) H(30B) .2338(12) .279(3) .0717(16) .079(11) H(311B) .2666(10) -.078(3) .0463(13) .053(8) H(312B) .2342(12) -.181(3) .0505(15) .071(10)