A rodlike organogelator: fibrous aggregation of azobenzene derivatives with a syn-chiral carbonate moietyElectronic supplementary information (ESI) available: synthetic scheme for (R,R)-2; FT-IR and SAXS measurements of (R,R)-(+)-1. See http://www.rsc.org/suppdata/cc/b2/b205072b/
Mamiya, Jun-ichi; Kanie, Kiyoshi; Hiyama, Tamejiro; Ikeda, Tomiki; Kato, Takashi; Chemical Communications  (2002) 1870–; doi:10.1039/b205072b

data_7114504
_publ_section_title
;
 A rodlike organogelator: fibrous aggregation of azobenzene derivatives
 with a syn-chiral carbonate moietyElectronic supplementary information
 (ESI) available: synthetic scheme for (R,R)-2; FT-IR and SAXS
 measurements of (R,R)-(+)-1. See
 http://www.rsc.org/suppdata/cc/b2/b205072b/
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1870
_journal_paper_doi               10.1039/b205072b
_journal_year                    2002
_chemical_compound_source        'Local laboratory'
_chemical_formula_moiety         'C23 H28 N2 O4 '
_chemical_formula_sum            'C23 H28 N2 O4'
_chemical_formula_weight         396.487
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.8530(2)
_cell_length_b                   9.3810(5)
_cell_length_c                   40.728(3)
_cell_measurement_temperature    298
_cell_volume                     2236.3(2)
_computing_cell_refinement       'HKL Scalepack'
_computing_data_collection       'DIP Image plate'
_computing_data_reduction        'maXus (Mackay et al., 1999)'
_computing_molecular_graphics    'Ortep (Johnson, 1976)'
_computing_publication_material  'maXus(Mackay et al., 1999)'
_computing_structure_refinement  'maXus(Mackay et al., 1999)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measurement_device       'DIP Image plate'
_diffrn_measurement_method       IP
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2073
_diffrn_reflns_theta_full        26.33
_diffrn_reflns_theta_max         26.33
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.08
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             848
_refine_diff_density_max         0.19
_refine_diff_density_min         -0.25
_refine_diff_density_rms         0.06
_refine_ls_abs_structure_details
;
;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.902
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_constraints    28
_refine_ls_number_parameters     259
_refine_ls_number_reflns         1843
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.095
_refine_ls_shift/su_max          0.175
_refine_ls_shift/su_mean         0.032
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_details
' w = exp (  0.10 sin(\q)/\l^2^ )/ s^2^(Fo^2^) + 0.01000 * Fo^2^'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.126
_refine_ls_wR_factor_ref         0.126
_reflns_d_resolution_high        0.63
_reflns_d_resolution_low         2.14
_reflns_limit_h_max              6
_reflns_limit_h_min              0
_reflns_limit_k_max              11
_reflns_limit_k_min              0
_reflns_limit_l_max              50
_reflns_limit_l_min              0
_reflns_number_total             2050
_cod_data_source_file            b205072b.txt
_cod_data_source_block           compound
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom, diff' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_formula_sum        'C23 H28 N2 O4 '
_cod_database_code               7114504