#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/06/1520688.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_1520688
loop_
_publ_author_name
'Grosu, Ion'
'Mager, Sorin'
'Toupet, Loic'
'Ple, Gerard'
'Mesaros, Eugen'
'Mihis, Alin'
_publ_section_title
;
 Synthesis and Stereochemistry of Some New 1,3-Dioxane Derivatives of
 1,4-Benzenedicarbaldehyde
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              366
_journal_page_last               371
_journal_paper_doi               10.3891/acta.chem.scand.52-0366
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C26 H34 O12'
_chemical_formula_weight         538.54
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.29(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.875(2)
_cell_length_b                   9.547(4)
_cell_length_c                   12.027(1)
_cell_volume                     1336.6(6)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0994
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_F_000             572
_refine_ls_goodness_of_fit_ref   0.79
_refine_ls_number_parameters     224
_refine_ls_number_reflns         1379
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            Acta-Chem-Scand-1998-52-366-371.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520688
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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
? ? ? ? ? ? ?
