(<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama; Acta Crystallographica Section E 68 (2012) o2935–o2936; doi:10.1107/S160053681203872X

data_2236449
_publ_section_title
;
 (<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
;
_journal_coeditor_code           LH5525
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2935
_journal_page_last               o2936
_journal_paper_doi               10.1107/S160053681203872X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C25 H32 O3'
_chemical_formula_moiety         'C25 H32 O3'
_chemical_formula_sum            'C25 H32 O3'
_chemical_formula_weight         380.51
_chemical_name_systematic
;
(<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
;
_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                74.405(3)
_cell_angle_beta                 72.891(3)
_cell_angle_gamma                85.981(4)
_cell_formula_units_Z            2
_cell_length_a                   8.6674(13)
_cell_length_b                   10.9865(17)
_cell_length_c                   12.1352(19)
_cell_measurement_reflns_used    7111
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      33.72
_cell_measurement_theta_min      2.46
_cell_volume                     1063.7(3)
_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 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30192
_diffrn_reflns_theta_full        33.85
_diffrn_reflns_theta_max         33.85
_diffrn_reflns_theta_min         2.46
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.9896
_exptl_absorpt_correction_T_min  0.9545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             412
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         8434
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0957P)^2^+0.0860P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1426
_refine_ls_wR_factor_ref         0.1602
_reflns_number_gt                6213
_reflns_number_total             8434
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5525.cif
_cod_data_source_block           I
_cod_database_code               2236449
_cod_database_fobs_code          2236449