#------------------------------------------------------------------------------
#$Date: 2016-12-06 16:28:16 +0200 (Tue, 06 Dec 2016) $
#$Revision: 188978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/06/1520654.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_1520654
loop_
_publ_author_name
'Rosling, Ari'
'Hotokka, Matti'
'Klika, Karel D.'
'Fulop, Ferenc'
'Sillanpaa, Reijo'
'Mattinen, Jorma'
_publ_section_title
;
 The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d]
 [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular
 Mechanics
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              213
_journal_page_last               221
_journal_paper_doi               10.3891/acta.chem.scand.53-0213
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C19 H20 N2 O'
_chemical_formula_weight         292.38
_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                108.01(4)
_cell_angle_beta                 95.03(4)
_cell_angle_gamma                76.95(4)
_cell_formula_units_Z            2
_cell_length_a                   9.621(4)
_cell_length_b                   11.641(6)
_cell_length_c                   7.681(3)
_cell_volume                     796.8(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.076
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_F_000             312
_refine_ls_goodness_of_fit_ref   1.62
_refine_ls_number_parameters     230
_refine_ls_number_reflns         1487
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.036
_cod_data_source_file            Acta-Chem-Scand-1999-53-213-221-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 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               1520654
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
? ? ? ? ? ? ?
