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#$Date: 2015-06-29 15:52:02 +0300 (Mon, 29 Jun 2015) $
#$Revision: 139753 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/06/1520690.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_1520690
loop_
_publ_author_name
'Karlsen, Hege'
'Kolsaker, Per'
'Romming, Christian'
'Uggerud, Einar'
_publ_section_title
;
 The Analogy Between C=O and C=C(CN)2: Structural Properties of
 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano-
 1,3-butadienes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              391
_journal_page_last               398
_journal_paper_doi               10.3891/acta.chem.scand.52-0391
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C16 H17 N3'
_chemical_formula_weight         251.33
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 128.75(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.242(1)
_cell_length_b                   10.485(1)
_cell_length_c                   16.214(1)
_cell_volume                     2816.3(5)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.072
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             1072
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_number_parameters     240
_refine_ls_number_reflns         7191
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.119
_cod_data_source_file            Acta-Chem-Scand-1998-52-391-398-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added
;
_cod_cif_authors_sg_H-M          'C 2/c'
_cod_database_code               1520690
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+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
H H 0 0 0 0.023 dum