Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials.
Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela; Chemical communications (Cambridge, England) 51 (2015) 2033–2035; doi:10.1039/c4cc09177a

data_7116293
_publ_section_title
;
 Chemical design enables the control of conformational polymorphism in
 functional 2,3-thieno(bis)imide-ended materials.
;
_journal_issue                   11
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2033
_journal_page_last               2035
_journal_paper_doi               10.1039/c4cc09177a
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C28 H24 N2 O4 S4 '
_chemical_formula_sum            'C28 H24 N2 O4 S4'
_chemical_formula_weight         580.76
_chemical_name_common            'C4_NT4N form B'
_chemical_name_mineral           'C4-NT4N form B'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2014-11-07 deposited with the CCDC.
2014-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                84.04(3)
_cell_angle_beta                 89.75(4)
_cell_angle_gamma                86.19(7)
_cell_formula_units_Z            1
_cell_length_a                   5.127(3)
_cell_length_b                   5.526(2)
_cell_length_c                   25.038(2)
_cell_measurement_temperature    293
_cell_volume                     704.0(5)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
 Panalytical X'pert in Debye-Scherrer geometry
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_preparation       Luminescent
_pd_proc_2theta_range_max        60
_pd_proc_2theta_range_min        2
_pd_proc_info_excluded_regions   no
_pd_proc_ls_background_function  Chebyschev
_pd_proc_ls_pref_orient_corr
;
Spherical Harmonics
;
_pd_proc_ls_prof_R_factor        0.08033
_pd_proc_ls_prof_wR_expected     0.03737
_pd_proc_ls_prof_wR_factor       0.10699
_pd_spec_mounting
;
0.5 mm borosilicate glass capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   2.863
_refine_ls_hydrogen_treatment    constr
_refine_ls_R_I_factor            0.01613
_cod_data_source_file            c4cc09177a2.cif
_cod_data_source_block           C4_NT4N_from_powder
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7116291--7116294.cif.
;
_cod_original_cell_volume        704.0696
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7116293