<i>N</i>,<i>N</i>'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)
Davenport, Timothy C.; Gleason, Arianna E.; Liska, Peter J.; Mugridge, Jeffrey S.; Pluth, Michael D.; Acta Crystallographica Section E 63 (2007) o3621–o3621; doi:10.1107/S1600536807035751

data_2214689
_publ_section_title
;
 <i>N</i>,<i>N</i>'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)
;
_journal_coeditor_code           HB2475
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3621
_journal_page_last               o3621
_journal_paper_doi               10.1107/S1600536807035751
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C34 H28 N2 O6'
_chemical_formula_moiety         'C34 H28 N2 O6'
_chemical_formula_sum            'C34 H28 N2 O6'
_chemical_formula_weight         560.60
_chemical_name_systematic
;
N,N'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.5065(9)
_cell_length_b                   15.0740(10)
_cell_length_c                   28.223(2)
_cell_measurement_reflns_used    4595
_cell_measurement_temperature    141.2
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      3.3
_cell_volume                     5320.7(6)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'PLEASE PROVIDE'
_computing_publication_material  TEXSAN
_computing_structure_refinement
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_measured_fraction_theta_full 0.9915
_diffrn_measured_fraction_theta_max 0.9915
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_theta_full        24.72
_diffrn_reflns_theta_max         24.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.914
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             2352.00
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
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_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0527
_refine_ls_wR_factor_ref         0.0527
_reflns_number_gt                3491
_reflns_number_total             5011
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            hb2475.cif
_cod_data_source_block           I
_cod_original_cell_volume        5320.8(6)
_cod_database_code               2214689
_cod_database_fobs_code          2214689