#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/50/2005084.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_2005084
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	1851
_journal_page_last    	1853
_publ_section_title
;
4,5-Bis(fluorodinitromethyl)-2-methoxy-1,3-dioxolane
;
_chemical_formula_moiety    	'C6 H6 F2 N4 O11'
_chemical_formula_sum    	'C6 H6 F2 N4 O11'
_chemical_formula_weight    	348.15
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
_cell_length_a    	17.816(2)
_cell_length_b    	9.0500(10)
_cell_length_c    	15.468(3)
_cell_angle_alpha    	90.
_cell_angle_beta    	98.700(10)
_cell_angle_gamma    	90.
_cell_volume    	2465.3(6)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.876
_cell_measurement_temperature    	173(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 1 0.08749(11) 0.0618(2) 0.18566(11) 0.0196(4)
H1 1 0.0381(12) 0.0315(23) 0.1620(13) 0.021(5)
C2 1 0.14253(10) -0.0597(2) 0.16889(11) 0.0213(4)
C3 1 0.10725(10) 0.2232(2) 0.16579(11) 0.0186(4)
H2 1 0.0608(11) 0.2755(22) 0.1611(13) 0.018(5)
C4 1 0.14539(10) 0.2631(2) 0.08822(11) 0.0212(4)
C5 1 0.12768(10) 0.1985(2) 0.31103(11) 0.0217(4)
H3 1 0.1677(10) 0.1790(22) 0.3592(13) 0.015(5)
C6 1 0.0987(2) 0.4211(2) 0.3763(2) 0.0374(5)
H4 1 0.1401(15) 0.4033(32) 0.4263(18) 0.056(8)
H5 1 0.1224(15) 0.4824(29) 0.3368(18) 0.048(7)
H6 1 0.0594(18) 0.4675(37) 0.3992(21) 0.071(9)
O1 1 0.08746(9) -0.0461(2) 0.02149(9) 0.0361(4)
O2 1 0.19068(9) -0.1757(2) 0.05342(10) 0.0432(4)
O3 1 0.05303(8) -0.2394(2) 0.18685(10) 0.0335(3)
O4 1 0.16711(9) -0.2700(2) 0.25817(10) 0.0403(4)
O5 1 0.02444(8) 0.2838(2) 0.00527(10) 0.0395(4)
O6 1 0.11971(9) 0.2419(2) -0.06356(9) 0.0441(4)
O7 1 0.12124(10) 0.5138(2) 0.10626(11) 0.0428(4)
O8 1 0.23660(9) 0.4524(2) 0.09227(11) 0.0438(4)
O9 1 0.09195(7) 0.06570(14) 0.27841(8) 0.0235(3)
O10 1 0.15906(7) 0.26197(14) 0.24155(8) 0.0223(3)
O11 1 0.07107(7) 0.28425(15) 0.33650(8) 0.0260(3)
N1 1 0.14015(10) -0.0979(2) 0.07176(10) 0.0261(4)
N2 1 0.11884(10) -0.2052(2) 0.20921(10) 0.0251(3)
N3 1 0.09059(10) 0.2609(2) 0.00106(10) 0.0258(3)
N4 1 0.17109(10) 0.4265(2) 0.09683(10) 0.0269(4)
F1 1 0.21429(6) -0.03382(12) 0.20154(7) 0.0272(3)
F2 1 0.20568(6) 0.18265(12) 0.07850(7) 0.0257(3)
_cod_database_code 2005084