A new class of rhodamine luminophores: design, syntheses and aggregation-induced emission enhancement (C42 H37 N2 O6)
Shinichiro Kamino; Yuka Horio; Seiji Komeda; Katsuhiko Minoura; Hayato Ichikawa; Jun Horigome; Asana Tatsumi; Shinya Kaji; Takako Yamaguchi; Yoshihide Usami; Shun Hirota; Shuichi Enomoto; Yoshikazu Fujita; Chem.Commun. 46 (2010) 9013–; doi:10.1039/c0cc03407j

data_7105709
_publ_section_title
;
 A new class of rhodamine luminophores: design, syntheses and
 aggregation-induced emission enhancement (C42 H37 N2 O6)
;
_journal_name_full               Chem.Commun.
_journal_page_first              9013
_journal_paper_doi               10.1039/c0cc03407j
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C42 H37 N2 O6 '
_chemical_formula_sum            'C42 H37 N2 O6'
_chemical_formula_weight         665.76
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   17.5837(11)
_cell_length_b                   23.2759(11)
_cell_length_c                   18.2237(9)
_cell_measurement_reflns_used    13538
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     7458.5(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.034
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17587
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2808.00
_exptl_crystal_size_max          2.00
_exptl_crystal_size_mid          1.50
_exptl_crystal_size_min          1.50
_refine_diff_density_max         2.50
_refine_diff_density_min         -2.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     250
_refine_ls_number_reflns         14495
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.0088
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0772
_reflns_number_gt                14431
_reflns_number_total             4209
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            C0CC03407J.TXT
_cod_data_source_block           OLM02
_cod_original_formula_sum        'C42 H37 N2 O6 '
_cod_database_code               7105709