2-Dibutylamino-1-(2,7-dichloro-9<i>H</i>-fluoren-4-yl)ethanol
Fun, Hoong-Kun; Yeap, Chin Sing; Vijesh, A. M.; Isloor, Arun M.; Vasudeva, P. K.; Acta Crystallographica Section E 66 (2010) o2624–o2625; doi:10.1107/S1600536810037566

data_2227421
_publ_section_title
;
 2-Dibutylamino-1-(2,7-dichloro-9<i>H</i>-fluoren-4-yl)ethanol
;
_journal_coeditor_code           FJ2335
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2624
_journal_page_last               o2625
_journal_paper_doi               10.1107/S1600536810037566
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C23 H29 Cl2 N O'
_chemical_formula_moiety         'C23 H29 Cl2 N O'
_chemical_formula_sum            'C23 H29 Cl2 N O'
_chemical_formula_weight         406.37
_chemical_name_systematic
;
2-Dibutylamino-1-(2,7-dichloro-9<i>H</i>-fluoren-4-yl)ethanol
;
_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
_cell_angle_alpha                68.1610(10)
_cell_angle_beta                 70.9990(10)
_cell_angle_gamma                88.9040(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0009(4)
_cell_length_b                   10.8847(4)
_cell_length_c                   11.0853(4)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.06
_cell_measurement_theta_min      2.80
_cell_volume                     1051.90(7)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII DUO CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19180
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.321
_exptl_absorpt_correction_T_max  0.9373
_exptl_absorpt_correction_T_min  0.8999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         6052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0350
_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^)+(0.0878P)^2^+0.1785P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1346
_reflns_number_gt                5448
_reflns_number_total             6052
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            fj2335.cif
_cod_data_source_block           I
_cod_database_code               2227421
_cod_database_fobs_code          2227421