A facile protection-deprotection route for obtaining indigo pigments as thin films and their applications in organic bulk heterojunctions
Eric Daniel Glowacki; Gundula Voss; Kadir Demirak; Marek Havlicek; Nevsal Sunger; Aysu Ceren Okur; Uwe Monkowius; Jacek Gasiorowski; Lucia Leonat; Niyazi Serdar Sariciftci; Chem.Commun. 49 (2013) 6063–; doi:10.1039/c3cc42889c

data_7109423
_publ_section_title
;
 A facile protection-deprotection route for obtaining indigo pigments as
 thin films and their applications in organic bulk heterojunctions
;
_journal_name_full               Chem.Commun.
_journal_page_first              6063
_journal_paper_doi               10.1039/c3cc42889c
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C26 H26 N2 O6'
_chemical_formula_sum            'C26 H26 N2 O6'
_chemical_formula_weight         462.49
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'APEX2 v2010.1-2'
_cell_angle_alpha                90
_cell_angle_beta                 113.657(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.069(9)
_cell_length_b                   7.368(3)
_cell_length_c                   17.190(7)
_cell_measurement_temperature    300.(2)
_cell_volume                     2444.3(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      300.(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'SMART X2S'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_source         'sealed MicroFocus tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10227
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.133
_refine_ls_extinction_coef       0.0017(5)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+0.8866P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                1647
_reflns_number_total             2162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc42889c.txt
_cod_data_source_block           I
_cod_original_cell_volume        2444.3(19)
_cod_database_code               7109423