Design and concise synthesis of a novel type of green fluorescent protein chromophore analogue.
Ikejiri, Masahiro; Tsuchino, Moe; Chihara, Yoshiko; Yamaguchi, Takao; Imanishi, Takeshi; Obika, Satoshi; Miyashita, Kazuyuki; Organic letters 14 (2012) 4406–4409; doi:10.1021/ol301901e

data_1508601
_publ_section_title
;
 Design and concise synthesis of a novel type of green fluorescent protein
 chromophore analogue.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              4406
_journal_page_last               4409
_journal_paper_doi               10.1021/ol301901e
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C24 H18 N2 O '
_chemical_formula_sum            'C24 H18 N2 O'
_chemical_formula_weight         350.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.8124(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   5.99198(11)
_cell_length_b                   12.0940(2)
_cell_length_c                   24.5614(5)
_cell_measurement_reflns_used    14105
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.6
_cell_volume                     1779.71(6)
_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_ambient_temperature      296.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.079
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            19618
_diffrn_reflns_theta_full        68.20
_diffrn_reflns_theta_max         68.20
_exptl_absorpt_coefficient_mu    0.634
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_correction_T_min  0.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             736.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2162
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.0015
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0516
_reflns_number_gt                2162
_reflns_number_total             3250
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol301901e_si_002.cif
_cod_data_source_block           '_test2'
_cod_original_cell_volume        1779.70(6)
_cod_original_formula_sum        'C24 H18 N2 O '
_cod_database_code               1508601