2-Methoxypyridine derivatives: synthesis, liquid crystalline and photo-physical properties
N., Ahipa T.; Adhikari, Airody Vasudeva; New J. Chem. 38 (2014) 5018–; doi:10.1039/C4NJ00911H

data_7054313
_publ_section_title
;
 2-Methoxypyridine derivatives: synthesis, liquid crystalline and
 photo-physical properties
;
_journal_issue                   10
_journal_name_full               'New J. Chem.'
_journal_page_first              5018
_journal_paper_doi               10.1039/C4NJ00911H
_journal_volume                  38
_journal_year                    2014
_chemical_formula_moiety         'C31 H42 N2 O2'
_chemical_formula_sum            'C31 H42 N2 O2'
_chemical_formula_weight         474.67
_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
_audit_update_record
;
2013-07-16 # Formatted by publCIF
;
_cell_angle_alpha                97.873(5)
_cell_angle_beta                 94.801(4)
_cell_angle_gamma                104.460(4)
_cell_formula_units_Z            2
_cell_length_a                   7.3355(5)
_cell_length_b                   9.7607(7)
_cell_length_c                   19.5372(14)
_cell_measurement_reflns_used    3642
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.90
_cell_measurement_theta_min      2.78
_cell_volume                     1331.60(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16730
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             516.0
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4628
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.1121
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1533
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                2812
_reflns_number_total             4704
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj00911h2.cif
_cod_data_source_block           red
_cod_depositor_comments
'Adding full bibliography for 7054313--7054314.cif.'
_cod_original_cell_volume        1331.60(16)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7054313