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2Â¥2009-11-13 16:40:23
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lyx1976(½ð±Ò+10,VIP+0): 11-14 14:31
lyx1976(½ð±Ò+10,VIP+0): 11-14 14:31
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data_CSD_CIF_EABRHD _audit_creation_date 1980-10-28 _audit_creation_method CSD-ConQuest-V1 _database_code_CSD EABRHD _chemical_formula_sum 'C14 H16 N2 O1 S2' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,-1/2-y,-1/2+z _cell_length_a 10.944(2) _cell_length_b 9.586(2) _cell_length_c 14.559(2) _cell_angle_alpha 90 _cell_angle_beta 101.06(5) _cell_angle_gamma 90 _cell_formula_units_Z 4 loop_ _atom_type_symbol _atom_type_radius_bond C 0.68 H 0.23 N 0.68 O 0.68 S 1.02 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z S1 S 1.16520 0.24420 0.46320 S2 S 1.32370 0.32690 0.32700 C3 C 1.29480 0.22610 0.41020 N4 N 1.36420 0.11680 0.44830 C5 C 1.32470 0.04260 0.51930 O6 O 1.38390 -0.05380 0.56040 C7 C 1.20760 0.10010 0.53630 C8 C 1.14970 0.04100 0.60170 C9 C 1.03730 0.07850 0.63290 C10 C 0.96090 0.19380 0.60110 C11 C 0.85610 0.22220 0.63610 C12 C 0.81960 0.13770 0.70550 C13 C 0.89500 0.02220 0.73590 C14 C 1.00020 -0.00480 0.70060 N15 N 0.71590 0.16680 0.74120 C16 C 0.67140 0.07310 0.80650 C17 C 0.73080 0.10110 0.90780 C18 C 0.64460 0.29530 0.71660 C19 C 0.54300 0.27780 0.63100 H4 H 1.44400 0.09600 0.43200 H8 H 1.19600 -0.05100 0.63500 H10 H 0.97800 0.25700 0.55400 H11 H 0.80800 0.30000 0.61000 H13 H 0.88100 -0.04100 0.78200 H14 H 1.04900 -0.09000 0.72500 H161 H 0.57600 0.08500 0.79700 H162 H 0.68700 -0.03000 0.79200 H171 H 0.82900 0.09100 0.91900 H172 H 0.69800 0.03400 0.95000 H173 H 0.71100 0.19700 0.92100 H181 H 0.70200 0.39200 0.71300 H182 H 0.60500 0.32300 0.77200 H191 H 0.58900 0.23900 0.58100 H192 H 0.48000 0.21200 0.64600 H193 H 0.50500 0.36400 0.61800 ²éµ½ÉÏÊöÒ»Àý£¬²»ÖªµÀÊÇÄãÒªµÄô? Cryst. Struct. Commun. 1980, 9, 693 |

3Â¥2009-11-13 16:47:00
4Â¥2009-11-17 08:32:01














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