Endowing Hydrochromism to Fluorans via Bioinspired Alteration of Molecular Structures and Microenvironments and Expanding Their Potential for Rewritable Paper.
Xi, Guan; Sheng, Lan; Zhang, Ivan; Du, Jiahui; Zhang, Ting; Chen, Qiaonan; Li, Guiying; Zhang, Ying; Song, Yue; Li, Jianhua; Zhang, Yu-Mo; Zhang, Sean Xiao-An; ACS applied materials & interfaces 9 (2017) 38032–38041; doi:10.1021/acsami.7b12363

data_4514255
_publ_section_title
;
 Endowing Hydrochromism to Fluorans via Bioinspired Alteration of
 Molecular Structures and Microenvironments and Expanding Their Potential
 for Rewritable Paper.
;
_journal_issue                   43
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              38032
_journal_page_last               38041
_journal_paper_doi               10.1021/acsami.7b12363
_journal_volume                  9
_journal_year                    2017
_chemical_formula_moiety         'C31 H27 N3 O5'
_chemical_formula_sum            'C31 H27 N3 O5'
_chemical_formula_weight         521.56
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.94(3)
_cell_angle_beta                 86.75(3)
_cell_angle_gamma                72.15(3)
_cell_formula_units_Z            2
_cell_length_a                   10.558(2)
_cell_length_b                   11.152(2)
_cell_length_c                   11.868(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1327.8(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10429
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    0.090
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         4654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0568
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0934P)^2^+0.1198P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1542
_refine_ls_wR_factor_ref         0.1674
_reflns_number_gt                3247
_reflns_number_total             4654
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am7b12363_si_005.cif
_cod_data_source_block           xg1
_cod_database_code               4514255