Di-<i>tert</i>-butyl 2,2'-[9<i>H</i>-fluorene-9,9-diylbis(<i>p</i>-phenyleneoxy)]diacetate
Shah, Kiramat; Yousuf, Sammer; Raza Shah, Muhammad; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) o1705–; doi:10.1107/S1600536810022579

data_2226761
_publ_section_title
;
 Di-<i>tert</i>-butyl
 2,2'-[9<i>H</i>-fluorene-9,9-diylbis(<i>p</i>-phenyleneoxy)]diacetate
;
_journal_coeditor_code           ZS2047
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1705
_journal_paper_doi               10.1107/S1600536810022579
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C37 H38 O6'
_chemical_formula_moiety         'C37 H38 O6'
_chemical_formula_sum            'C37 H38 O6'
_chemical_formula_weight         578.67
_chemical_name_common
;
9,9-Bis[4-(<i>tert</i>-butoxycarbonylmethyloxy)phenyl]fluorene
;
_chemical_name_systematic
;
Di-<i>tert</i>-butyl
2,2'-[9<i>H</i>-fluorene-9,9-diylbis(<i>p</i>-phenyleneoxy)]diacetate
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 107.1090(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6527(8)
_cell_length_b                   11.9466(6)
_cell_length_c                   17.8218(9)
_cell_measurement_reflns_used    3717
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.9
_cell_measurement_theta_min      2.2
_cell_volume                     3185.1(3)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2002)'
_computing_data_collection       '<i>SMART</i> (Bruker, 2002)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2002)'
_computing_molecular_graphics    '<i>X-SEED</i> (Barbour, 2001)'
_computing_publication_material  '<i>PublCIF</i> (Westrip, 2010)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '\w scans'
_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  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.08
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_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
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_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
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_refine_ls_number_reflns         7322
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0795P)^2^+0.3146P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1605
_reflns_number_gt                4525
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_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2226761
_cod_database_fobs_code          2226761