data_2006063
_journal_name_full  'Acta Crystallographica'
_journal_year 1997
_journal_volume 	C53
_journal_page_first 	419
_journal_page_last 	422
_publ_section_title 	
;
Bis{\m-[1-(N-Methylsulfonimidoyl)-2,2-diphenylethene]}-1\k^2^C^1^,N:
2\kO;1\kO:2\k^2^C^1^,N-bis[(tetrahydrofuran-{\bi O})lithium]
Tetrahydrofuran Sol
;
_chemical_formula_moiety 	' C21 H19 S1 N1 O1 '
_chemical_formula_sum 	' C21 H19 S1 N1 O1 '
_chemical_formula_weight 	333.45
_symmetry_cell_setting 	'triclinic'
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
_symmetry_space_group_name_H-M 	'P -1'
_cell_length_a 	6.0861(4)
_cell_length_b 	11.9803(7)
_cell_length_c 	12.4121(7)
_cell_angle_alpha 	97.170(4)
_cell_angle_beta 	90.662(5)
_cell_angle_gamma 	99.241(5)
_cell_volume 	885.82(9)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	1.25
_cell_measurement_temperature 	293
_refine_ls_R_factor_obs 	0.0394
_refine_ls_wR_factor_obs 	0.0473
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 S1 0.51541(6) 0.28735(3) 0.38843(3) 0.0515(1)
 N1 0.5263(3) 0.3177(1) 0.5112(1) 0.0590(3)
 O1 0.7148(2) 0.2755(1) 0.3279(1) 0.0678(3)
 C1 0.3789(3) 0.3958(1) 0.3516(1) 0.0522(3)
 C2 0.2789(3) 0.3966(1) 0.2559(1) 0.0488(3)
 C3 0.1398(3) 0.4855(1) 0.2418(1) 0.0499(3)
 C4 0.0013(3) 0.5200(1) 0.3233(1) 0.0587(4)
 C5 -0.1396(3) 0.5967(2) 0.3070(2) 0.0696(4)
 C6 -0.1422(4) 0.6406(2) 0.2104(2) 0.0729(6)
 C7 -0.0032(5) 0.6097(2) 0.1300(2) 0.0772(6)
 C8 0.1364(4) 0.5318(2) 0.1449(2) 0.0680(4)
 C9 0.2896(3) 0.3098(1) 0.1598(1) 0.0498(3)
 C10 0.4862(3) 0.3041(2) 0.1056(2) 0.0654(4)
 C11 0.4881(4) 0.2229(2) 0.0154(2) 0.0765(4)
 C12 0.2996(4) 0.1484(2) -0.0198(2) 0.0721(6)
 C13 0.1032(3) 0.1542(2) 0.0333(2) 0.0639(4)
 C14 0.0976(3) 0.2353(1) 0.1226(1) 0.0545(3)
 C15 0.3296(3) 0.1572(1) 0.3489(1) 0.0512(3)
 C16 0.3963(4) 0.0715(2) 0.2783(2) 0.0669(4)
 C17 0.2503(5) -0.0309(2) 0.2545(2) 0.0815(6)
 C18 0.0452(5) -0.0455(2) 0.2998(2) 0.0832(7)
 C19 -0.0187(4) 0.0405(2) 0.3687(2) 0.0819(6)
 C20 0.1231(3) 0.1424(2) 0.3946(2) 0.0670(4)
 C21 0.5973(4) 0.2343(2) 0.5758(2) 0.0688(4)
 H1 0.379(3) 0.454(1) 0.412(1) 0.066(5)
 H41 0.0034 0.4903 0.3916 0.0584
 H51 -0.2357 0.6192 0.3636 0.0699
 H61 -0.2415 0.6931 0.1990 0.0761
 H71 -0.0024 0.6422 0.0631 0.0823
 H81 0.2314 0.5097 0.0877 0.0695
 H101 0.6197 0.3557 0.1301 0.0647
 H111 0.6236 0.2192 -0.0227 0.0785
 H121 0.3038 0.0920 -0.0816 0.0743
 H131 -0.0295 0.1021 0.0084 0.0643
 H141 -0.0396 0.2401 0.1590 0.0542
 H161 0.5398 0.0823 0.2464 0.0679
 H171 0.2937 -0.0918 0.2059 0.0838
 H181 -0.0540 -0.1166 0.2829 0.0877
 H191 -0.1635 0.0298 0.3994 0.0839
 H201 0.0787 0.2025 0.4439 0.0665
 H211 0.5976 0.2628 0.6516 0.0706
 H212 0.7445 0.2221 0.5563 0.0706
 H213 0.4960 0.1636 0.5617 0.0706
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
 S1 . N1 . 1.520(1)
 S1 . O1 . 1.452(1)
 S1 . C1 . 1.753(2)
 S1 . C15 . 1.784(2)
 N1 . C21 . 1.469(2)
 C1 . C2 . 1.330(2)
 C2 . C3 . 1.488(2)
 C2 . C9 . 1.491(2)
 C3 . C4 . 1.390(2)
 C3 . C8 . 1.387(2)
 C4 . C5 . 1.385(3)
 C5 . C6 . 1.369(3)
 C6 . C7 . 1.370(4)
 C7 . C8 . 1.386(3)
 C9 . C10 . 1.386(2)
 C9 . C14 . 1.387(2)
 C10 . C11 . 1.389(3)
 C11 . C12 . 1.366(3)
 C12 . C13 . 1.379(3)
 C13 . C14 . 1.385(2)
 C15 . C16 . 1.380(2)
 C15 . C20 . 1.380(3)
 C16 . C17 . 1.391(3)
 C17 . C18 . 1.369(4)
 C18 . C19 . 1.365(4)
 C19 . C20 . 1.377(3)
 C1 . H1 . 0.958(9)
 C4 . H41 . 0.960(2)
 C5 . H51 . 0.960(2)
 C6 . H61 . 0.960(2)
 C7 . H71 . 0.960(2)
 C8 . H81 . 0.960(2)
 C10 . H101 . 0.960(2)
 C11 . H111 . 0.960(2)
 C12 . H121 . 0.960(2)
 C13 . H131 . 0.960(2)
 C14 . H141 . 0.960(2)
 C16 . H161 . 0.960(2)
 C17 . H171 . 0.960(2)
 C18 . H181 . 0.960(2)
 C19 . H191 . 0.960(3)
 C20 . H201 . 0.960(2)
 C21 . H211 . 0.960(2)
 C21 . H212 . 0.960(2)
 C21 . H213 . 0.960(2)
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
 S1 0.0537(2) 0.0075(1) -0.0077(2) 0.0460(2) 0.0009(1) 0.0552(2)
 N1 0.0721(9) 0.0129(7) -0.0164(7) 0.0565(8) -0.0024(6) 0.0540(8)
 O1 0.0548(7) 0.0140(6) 0.0090(6) 0.0712(8) 0.0105(6) 0.0829(9)
 C1 0.0619(9) 0.0071(6) -0.0067(7) 0.0420(7) -0.0010(6) 0.0542(8)
 C2 0.0540(8) 0.0013(6) -0.0022(6) 0.0393(7) 0.0043(6) 0.0531(8)
 C3 0.0605(9) 0.0020(6) -0.0067(7) 0.0373(7) 0.0037(6) 0.0542(8)
 C4 0.063(1) 0.0073(7) -0.0018(8) 0.0501(8) 0.0054(7) 0.063(1)
 C5 0.070(1) 0.0143(8) -0.002(1) 0.054(1) 0.0004(9) 0.091(1)
 C6 0.093(1) 0.0209(9) -0.023(1) 0.0495(9) 0.0019(9) 0.096(2)
 C7 0.128(2) 0.023(1) -0.019(1) 0.059(1) 0.0182(9) 0.075(1)
 C8 0.099(1) 0.0177(9) 0.001(1) 0.056(1) 0.0127(8) 0.061(1)
 C9 0.0585(8) 0.0070(6) -0.0025(6) 0.0436(7) 0.0052(6) 0.0480(8)
 C10 0.062(1) 0.0053(8) 0.0039(8) 0.072(1) 0.0011(8) 0.061(1)
 C11 0.082(1) 0.024(1) 0.013(1) 0.095(1) -0.003(1) 0.063(1)
 C12 0.099(2) 0.026(1) -0.006(1) 0.072(1) -0.0109(9) 0.058(1)
 C13 0.082(1) 0.0082(8) -0.0158(9) 0.0494(9) -0.0037(7) 0.066(1)
 C14 0.0605(9) 0.0067(7) -0.0051(7) 0.0460(8) 0.0028(6) 0.0572(9)
 C15 0.0604(9) 0.0093(6) -0.0111(7) 0.0430(7) 0.0033(6) 0.0538(8)
 C16 0.088(1) 0.0194(9) -0.0056(9) 0.0547(9) -0.0025(8) 0.065(1)
 C17 0.140(2) 0.019(1) -0.027(2) 0.050(1) -0.011(1) 0.083(1)
 C18 0.116(2) -0.013(1) -0.044(2) 0.054(1) 0.012(1) 0.108(2)
 C19 0.071(1) -0.010(1) -0.019(1) 0.074(1) 0.022(1) 0.112(2)
 C20 0.062(1) 0.0049(8) -0.0051(9) 0.059(1) 0.0053(9) 0.079(1)
 C21 0.079(1) 0.0142(9) -0.0156(9) 0.070(1) 0.0085(9) 0.064(1)