9-Aryl-3-aminocarbazole as an Environment- and Stimuli-Sensitive Fluorogen and Applications in Lipid Droplet Imaging.
Matsubara, Ryosuke; Kaiba, Tomoaki; Nakata, Akito; Yabuta, Tatsushi; Hayashi, Masahiko; Tsubaki, Motonari; Uchino, Takashi; Chatani, Eri; The Journal of organic chemistry 84 (2019) 5535–5547; doi:10.1021/acs.joc.9b00493

data_4034369
_publ_section_title
;
 9-Aryl-3-aminocarbazole as an Environment- and Stimuli-Sensitive
 Fluorogen and Applications in Lipid Droplet Imaging.
;
_journal_issue                   9
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5535
_journal_page_last               5547
_journal_paper_doi               10.1021/acs.joc.9b00493
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C23 H22 N4'
_chemical_formula_sum            'C23 H22 N4'
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_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.5095(10)
_cell_length_b                   13.3501(18)
_cell_length_c                   18.111(3)
_cell_measurement_reflns_used    3452
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.718
_cell_volume                     1815.7(5)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            NONE
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NONE
_exptl_crystal_F_000             752.00
_exptl_crystal_size_max          0.000
_exptl_crystal_size_mid          0.000
_exptl_crystal_size_min          0.000
_refine_diff_density_max         0.190
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         4115
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_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0448P)^2^+0.0256P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0975
_reflns_number_gt                3415
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           carbazole_1_0ama
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