#------------------------------------------------------------------------------
#$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208362 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/24/2102410.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2102410
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 Space group Cc: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C20 H10 O2'
_chemical_formula_sum            'C20 H10 O2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 91.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9280
_cell_length_b                   4.9830
_cell_length_c                   16.1700
_cell_volume                     1283.055
_cod_data_source_file            bk0142.cif
_cod_data_source_block           QUPMUJ
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102410
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z+1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.09285 0.22790 -0.02245
C1 C 0.14635 0.38175 0.02740
C2 C 0.11125 0.57635 0.07895
C3 C 0.16275 0.73085 0.12830
C4 C 0.25150 0.70070 0.12955
C5 C 0.30790 0.85345 0.17945
C6 C 0.39205 0.80650 0.17620
C7 C 0.42600 0.60950 0.12405
C8 C 0.37270 0.46210 0.07470
C9 C 0.28510 0.50295 0.07710
C10 C 0.23145 0.34710 0.02630
H1 H 0.05200 0.60090 0.07945
H2 H 0.13840 0.86285 0.16285
H3 H 0.28710 0.98865 0.21505
H4 H 0.42910 0.90940 0.21035
H5 H 0.48490 0.57995 0.12345
