Crystal Structure of N,N,N′,N′-Tetraethyl-9,10-anthracenedimethanamine
KUBO, Kanji; TAKAHASHI, Hajime; TAKECHI, Haruko; MORI, Akira; X-ray Structure Analysis Online 25 (2009) 99–; doi:10.2116/xraystruct.25.99

data_1551785
_publ_section_title
;
 Crystal Structure of
 N,N,N&#x2032;,N&#x2032;-Tetraethyl-9,10-anthracenedimethanamine
;
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              99
_journal_paper_doi               10.2116/xraystruct.25.99
_journal_volume                  25
_journal_year                    2009
_chemical_formula_moiety         'C24 H32 N2 '
_chemical_formula_sum            'C24 H32 N2'
_chemical_formula_weight         348.53
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.980(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.185(2)
_cell_length_b                   10.753(2)
_cell_length_c                   9.742(2)
_cell_measurement_reflns_used    8949
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      4.1
_cell_volume                     960.9(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.029
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9223
_diffrn_reflns_theta_full        68.21
_diffrn_reflns_theta_max         68.21
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             380.00
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.59
_refine_ls_extinction_coef       0.014(2)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     120
_refine_ls_number_reflns         1730
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1052P)^2^+1.1784P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1924
_reflns_number_gt                1573
_reflns_number_total             1762
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            25_99_1.cif
_cod_data_source_block           '_2a'
_cod_original_formula_sum        'C24 H32 N2 '
_cod_database_code               1551785