#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:53:41 +0000 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/11/2101111.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_2101111
loop_
_publ_author_name
'Dorset, D. L.'
'McCourt, M. P.'
'Kopp, S.'
'Wittmann, J.-C.'
'Lotz, B.'
_publ_section_title
;
 Direct determination of polymer crystal structures by electron
 crystallography -- isotactic poly(1-butene), form (III)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              201
_journal_page_last               208
_journal_paper_doi               10.1107/S0108768193009140
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '(C4 H8)n'
_chemical_formula_sum            'C4 H8'
_chemical_formula_weight         56.068
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.38
_cell_length_b                   8.88
_cell_length_c                   7.56
_cell_volume                     831.104
_diffrn_radiation_type           electron
_cod_data_source_file            cr0447.cif
_cod_data_source_block           cr0447a
_cod_original_cell_volume        831.10
_cod_database_code               2101111
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 .346 -.038 .108
C2 .298 .125 .163
C3 .381 .248 .103
C4 .325 .402 .120
C5 .279 .134 .358
C6 .160 .067 .413
C7 .072 .183 .353
C8 -.038 .105 .370