Spectroscopic studies of a fluorescent fluoresceinophane formed via a practical synthetic route
Sergio Andrés Pérez Guarìn; Derek Tsang; W. G. Skene; New Journal of Chemistry 31 (2007) 210–; doi:10.1039/b611060f

data_7052071
_publ_section_title
;
 Spectroscopic studies of a fluorescent fluoresceinophane formed via a
 practical synthetic route
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              210
_journal_paper_doi               10.1039/b611060f
_journal_volume                  31
_journal_year                    2007
_chemical_formula_moiety         'C31 H32 O5'
_chemical_formula_sum            'C31 H32 O5'
_chemical_formula_weight         484.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.972(5)
_cell_angle_beta                 102.869(5)
_cell_angle_gamma                92.200(5)
_cell_formula_units_Z            2
_cell_length_a                   7.8781(2)
_cell_length_b                   12.7652(3)
_cell_length_c                   12.8795(3)
_cell_measurement_temperature    173
_cell_volume                     1260.54(6)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
11722 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance = 36. mm.
Scan angle = 2.0 deg 1 scans of 88 sec per frame.
Data collection was divided into 2 set(s)
with the following starting angles and number of frames :

Set 1 Theta = 9.80 Omega = 0.00 Kappa = 0.00 91 frames
Set 2 Theta = -9.50 Kappa = 134.00 Phi = 0.00 26 frames
Friedel pairs were averaged. Internal R = 0.04
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11722
_diffrn_reflns_theta_max         30.99
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.297
_refine_diff_density_min         -0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.963
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4243
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.120
_refine_ls_R_factor_gt           0.047
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.232
_refine_ls_wR_factor_ref         0.064
_reflns_number_gt                4243
_reflns_number_total             8005
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b611060f.txt
_cod_data_source_block           st1276
_cod_original_cell_volume        1260.54(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7052071