data_2003545
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_journal_page_first    	1164
_journal_page_last    	1167
_publ_section_title    	
;
4,4'-Azoxydianisole at 203 K
;
_chemical_formula_moiety    	'C14 H14 N2 O3'
_chemical_formula_sum    	'C14 H14 N2 O3'
_chemical_formula_weight    	258.28
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,1/2+z'
    '-x,-y,-z'
    '-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	10.9822(22)
_cell_length_b    	8.0799(16)
_cell_length_c    	15.449(3)
_cell_angle_alpha    	90.
_cell_angle_beta    	113.28(12)
_cell_angle_gamma    	90.
_cell_volume    	1259.3(4)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.362
_exptl_crystal_density_meas    	1.291
_exptl_crystal_density_method    	?
_diffrn_radiation_type    	'CuK\a'
_diffrn_radiation_wavelength    	1.54056
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	20
_cell_measurement_theta_max    	24
_exptl_absorpt_coefficient_mu    	0.71
_cell_measurement_temperature    	203
_exptl_crystal_description    	'platelet'
_exptl_crystal_size_max    	0.47
_exptl_crystal_size_mid    	0.46
_exptl_crystal_size_min    	0.11
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'yellow'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w/2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	9667
_reflns_number_total    	2384
_reflns_number_observed    	1941
_reflns_observed_criterion    	I>=2.0\s(I)
_diffrn_reflns_av_R_equivalents    	0.030
_diffrn_reflns_theta_max    	70.0
_diffrn_reflns_limit_h_min    	-13
_diffrn_reflns_limit_h_max    	13
_diffrn_reflns_limit_k_min    	-9
_diffrn_reflns_limit_k_max    	9
_diffrn_reflns_limit_l_min    	-18
_diffrn_reflns_limit_l_max    	18
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	30
_diffrn_standards_decay_%    	<=1.2
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.052
_refine_ls_wR_factor_obs    	0.059
_refine_ls_goodness_of_fit_obs    	2.68
_refine_ls_number_reflns    	1941
_refine_ls_number_parameters    	301
_refine_ls_hydrogen_treatment    	?
_refine_ls_weighting_scheme    	'w = 1/[\s^2^(F) + 0.0001F^2^]'
_refine_ls_shift/esd_max    	0.06
_refine_diff_density_max    	0.17
_refine_diff_density_min    	-0.22
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	
;Cromer & Mann (1968) for C, N, O and Stewart, Davidson & Simpson
for H atoms
;
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    C(1) .4867(3) -.0489(3) .7657(2) 5.6(1)
    O(2) .4639(2) .0860(2) .8165(1) 5.2(1)
    C(3) .5457(4) .1102(5) .9063(3) 4.3(1)
    C(4) .6556(4) .0157(5) .9586(3) 4.9(1)
    C(5) .7323(3) .0579(4) 1.0519(2) 4.2(1)
    C(6) .6988(3) .1944(4) 1.0923(2) 3.7(1)
    C(7) .5893(3) .2872(4) 1.0403(2) 4.7(1)
    C(8) .5133(3) .2456(4) .9478(2) 4.8(1)
    N(9) .7756(3) .2377(3) 1.1895(2) 4.1(1)
    N(10) .8791(3) .1501(3) 1.2332(2) 4.2(1)
    O(11) .7371(2) .3595(2) 1.2261(1) 6.0(1)
    C(12) .9550(3) .1779(4) 1.3312(2) 3.7(1)
    C(13) 1.0777(3) .0958(4) 1.3643(2) 4.5(1)
    C(14) 1.1575(3) .0988(4) 1.4591(2) 4.7(1)
    C(15) 1.1182(4) .1774(5) 1.5229(3) 4.6(1)
    C(16) .9962(4) .2584(4) 1.4893(3) 5.0(1)
    C(17) .9156(3) .2594(4) 1.3942(2) 4.3(1)
    O(18) 1.2049(1) .1671(2) 1.6149(1) 5.2(1)
    C(19) 1.1697(2) .2396(3) 1.6861(2) 5.6(1)
    C(3') .5570(6) .1101(8) .9080(5) 4.0(2)
    C(4') .6583(7) -.0053(8) .9480(5) 4.0(2)
    C(5') .7461(7) .0111(8) 1.0419(5) 4.6(2)
    C(6') .7327(7) .1430(8) 1.0958(5) 2.8(2)
    C(7') .6314(7) .2584(8) 1.0557(5) 4.4(2)
    C(8') .5435(7) .2420(8) .9619(5) 5.3(2)
    N(9') .8302(8) .1384(9) 1.1887(6) 4.4(2)
    N(10') .8293(8) .2438(9) 1.2496(6) 4.4(2)
    C(12') .9263(6) .2223(7) 1.3427(4) 2.8(2)
    C(13') 1.0399(6) .1278(7) 1.3601(4) 3.4(2)
    C(14') 1.1334(6) .1086(7) 1.4521(4) 5.4(2)
    C(15') 1.1134(6) .1839(7) 1.5267(4) 3.2(2)
    C(16') .9999(6) .2785(7) 1.5092(4) 3.6(2)
    C(17') .9063(6) .2976(7) 1.4172(4) 3.8(2)
    H(1A)* .4204 -.0489 .7034 5.8(2)
    H(1B)* .4834 -.1499 .7963 9.3(2)
    H(1C)* .5715 -.0373 .7635 6.9(2)
    H(4) .6787 -.0779 .9311 7.1(2)
    H(5) .8076 -.0068 1.0880 8.3(2)
    H(7) .5658 .3804 1.0680 6.8(2)
    H(8) .4377 .3101 .9122 7.5(2)
    H(13) 1.1057 .0382 1.3218 5.6(2)
    H(14) 1.2415 .0458 1.4812 7.4(2)
    H(16) .9678 .3145 1.5321 6.5(2)
    H(17) .8330 .3158 1.3719 5.4(2)
    H(19A)* 1.2392 .2225 1.7461 6.2(2)
    H(19B)* 1.0907 .1897 1.6849 5.7(2)
    H(19C)* 1.1556 .3550 1.6747 10.2(2)
    H(4') .6675 -.0951 .9114 7.5(2)
    H(5') .8151 -.0675 1.0692 6.3(2)
    H(7') .6222 .3482 1.0924 6.0(2)
    H(8') .4746 .3206 .9346 6.0(2)
    H(13') 1.0535 .0765 1.3093 6.8(2)
    H(14') 1.2108 .0442 1.4640 6.2(2)
    H(16') .9863 .3298 1.5600 5.3(2)
    H(17') .8290 .3620 1.4054 5.9(2)