Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.
Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio; Organic & biomolecular chemistry 2 (2004) 499–504; doi:10.1039/b311669g

data_7150323
_publ_section_title
;
 Photochromism of polymorphic
 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.
;
_journal_issue                   4
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              499
_journal_page_last               504
_journal_paper_doi               10.1039/b311669g
_journal_volume                  2
_journal_year                    2004
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C39 H46 N2 O2'
_chemical_formula_sum            'C39 H46 N2 O2'
_chemical_formula_weight         574.80
_chemical_name_systematic
;
4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2003-05-09
_audit_creation_method           'CrystalStructure v3.00'
_cell_angle_alpha                90
_cell_angle_beta                 103.22(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.991(4)
_cell_length_b                   6.010(4)
_cell_length_c                   31.619(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      12.1
_cell_measurement_theta_min      10.1
_cell_measurement_wavelength     0.71073
_cell_volume                     3513(2)
_computing_cell_refinement       'Rigaku AFC-7R'
_computing_data_collection       'Rigaku AFC-7R'
_computing_data_reduction        'CrystalStructure v3.00'
_computing_molecular_graphics    'CrystalStructure v3.00'
_computing_publication_material  'CrystalStructure v3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR88
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.8529
_diffrn_measured_fraction_theta_max 0.8529
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.663
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            6062
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_exptl_absorpt_coefficient_mu    0.066
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.087
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1240.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.35
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         1907
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0770
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0007Fo^2^ + 3.2500\s^2^(Fo) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                1907
_reflns_number_total             5840
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b311669g.txt
_cod_data_source_block           4b
_cod_original_cell_volume        3512.9(3)
_cod_original_sg_symbol_H-M      P121/n1
_cod_database_code               7150323