#------------------------------------------------------------------------------
#$Date: 2016-12-06 16:28:16 +0200 (Tue, 06 Dec 2016) $
#$Revision: 188978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/06/1520687.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_1520687
loop_
_publ_author_name
'Miklos, Ferenc'
'Csende, Ferenc'
'Stajer, Geza'
'Sohar, Pal'
'Sillanpaa, Reijo'
'Bernath, Gabor'
'Szunyog, Jozsef'
_publ_section_title
;
 Synthesis and Structure of Methanobenzocyclooctene Derivatives
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              322
_journal_page_last               327
_journal_paper_doi               10.3891/acta.chem.scand.52-0322
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C14 H14 O3'
_chemical_formula_weight         230.259
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.97(2)
_cell_angle_beta                 112.68(2)
_cell_angle_gamma                67.53(1)
_cell_formula_units_Z            2
_cell_length_a                   8.526(2)
_cell_length_b                   10.784(2)
_cell_length_c                   7.368(2)
_cell_volume                     575.2(3)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.087
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_F_000             244
_refine_ls_number_parameters     184
_refine_ls_number_reflns         1551
_refine_ls_R_factor_gt           0.043
_refine_ls_wR_factor_gt          0.037
_cod_data_source_file            Acta-Chem-Scand-1998-52-322-327.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added.
Coordinates said to be deposited at CCDC, no deposition
number provided.

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_database_code               1520687
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-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
? ? ? ? ? ? ?
