A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/
Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu; Chemical Communications  (2001) 2394–; doi:10.1039/b107213g

data_7114710
_publ_section_title
;
 A novel intramolecular through-space interaction between F and CN: a
 strategy for the conformational control of an acyclic systemElectronic
 supplementary information (ESI) available: experimental procedure for the
 syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds,
 a procedure for the stereoselective protonation of 2, full
 crystallographic data of syn- and anti-1 and anti-2. See
 http://www.rsc.org/suppdata/cc/b1/b107213g/
;
_journal_issue                   22
_journal_name_full               'Chemical Communications'
_journal_page_first              2394
_journal_paper_doi               10.1039/b107213g
_journal_year                    2001
_chemical_formula_moiety         'C17 H24 F N O '
_chemical_formula_sum            'C17 H24 F N O'
_chemical_formula_weight         277.38
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.02(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.696(4)
_cell_length_b                   5.627(3)
_cell_length_c                   18.628(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      27.9
_cell_volume                     803.6(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 0.6018
_diffrn_measured_fraction_theta_max 0.6018
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            1449
_diffrn_reflns_theta_full        60.15
_diffrn_reflns_theta_max         60.15
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.628
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.919
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.18
_refine_diff_density_min         0.00
_refine_ls_abs_structure_Flack   -3.2(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.597
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     181
_refine_ls_number_reflns         1431
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.08000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1923
_reflns_number_gt                994
_reflns_number_total             1431
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b107213g.txt
_cod_data_source_block           HAGI-159
_cod_original_formula_sum        'C17 H24 F N O '
_cod_database_code               7114710