Synthesis of Helical Poly(N-propargylamides) Carrying Azobenzene Moieties in Side Chains. Reversible Arrangement-Disarrangement of Helical Side Chain Arrays upon Photoirradiation Keeping Helical Main Chain Intact
Fujii, Toru; Shiotsuki, Masashi; Inai, Yoshihito; Sanda, Fumio; Masuda, Toshio; Macromolecules 40 (2007) 7079–; doi:10.1021/ma070917j

data_1505156
_publ_section_title
;
 Synthesis of Helical Poly(N-propargylamides) Carrying Azobenzene Moieties
 in Side Chains. Reversible Arrangement-Disarrangement of Helical Side
 Chain Arrays upon Photoirradiation Keeping Helical Main Chain Intact
;
_journal_issue                   20
_journal_name_full               Macromolecules
_journal_page_first              7079
_journal_paper_doi               10.1021/ma070917j
_journal_volume                  40
_journal_year                    2007
_chemical_formula_moiety         'C23 H19 N3 O2 '
_chemical_formula_sum            'C23 H19 N3 O2'
_chemical_formula_weight         369.42
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.362(12)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.132(4)
_cell_length_b                   5.2501(14)
_cell_length_c                   14.966(5)
_cell_measurement_reflns_used    8452
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     951.6(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.078
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8589
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             388.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.69
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1456 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.0(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     273
_refine_ls_number_reflns         6538
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.0101
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    6.4978    1.2405    3.7806
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                6501
_reflns_number_total             3874
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ma070917jsi20070718_093141.cif
_cod_data_source_block           '_Fujii1___________________'
_cod_original_formula_sum        'C23 H19 N3 O2 '
_cod_database_code               1505156